CPRiL

Structure

Relationships

Total Number of functionally related protein(s) : 41
Total Number of Articles : 90

PubChem

5311037

Molecular Formula

C20H24N4O4

SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+

synonyms

Nourianz

KW6002

istradefilina

(E)-8-(3,4-Dimethoxystyryl)-1,3-diethyl-7-methylxanthine

UNII-2GZ0LIK7T4

2GZ0LIK7T4

DTXSID7057652

(E)-8-(3,4-Dimethoxystyryl)-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione

DTXCID8031441

8-((1E)-2-(3,4-Dimethoxyphenyl)ethenyl)-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione

1H-Purine-2,6-dione, 8-((1E)-2-(3,4-dimethoxyphenyl)ethenyl)-1,3-diethyl-3,7-dihydro-7-methyl-

1H-Purine-2,6-dione, 8-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-3,7-dihydro-7-methyl-

1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3,4-dimethoxyphenyl)ethenyl)-7-methyl-, (E)-

istradefyllinum

8-[(1E)-2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione

8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-diethyl-3,7-dihydro-7-methyl-1H-purine-2,6-dione

KW-6002

8-[(E)-2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6 -dione

Istradefylline (KW-6002)

KW 6002

8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione

CHEMBL431770

(E)-8-(3,4-Dimethoxystyryl)-1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione

8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione

8-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione

Istradefylline Impurity 2

606080-73-3

Properties

Property	Value
MW	384.4 g/mol
HBD	0
HBA	5
Rotatable Bond Count	6
Exact Mass	384.17975526 g/mol
Monoisotopic Mass	384.17975526 g/mol
Heavy Atom Count	28
Isotope Atom Count	0
Atom Stereo Count	0
Covalent Unit Count	1
Complexity	613
xlogp	2.5
Topological Polar Surface Area	76.9