9-(3,4-dimethoxyphenyl)-8-oxidanylidene-2-pentan-2-yl-7H-purine-6-carboxamide

Systemtic Name: 9-(3,4-dimethoxyphenyl)-8-oxidanylidene-2-pentan-2-yl-7H-purine-6-carboxamide Openeye Name: 9-(3,4-dimethoxyphenyl)-2-(1-methylbutyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3,4-dimethoxyphenyl)-8-oxo-2-pentan-2-yl-7H-purine-6-carboxamide IUPAC Name: 9-(3,4-dimethoxyphenyl)-8-oxo-2-pentan-2-yl-7H-purine-6-carboxamide Traditional Name: 9-(3,4-dimethoxyphenyl)-8-keto-2-(1-methylbutyl)-7H-purine-6-carboxamide Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC(=C2C(=N1)N(C(=O)N2)C3=CC(=C(C=C3)OC)OC)C(=O)N

Isomeric SMILES

CCCC(C)C1=NC(=C2C(=N1)N(C(=O)N2)C3=CC(=C(C=C3)OC)OC)C(=O)N

InChI

InChI=1S/C19H23N5O4/c1-5-6-10(2)17-21-14(16(20)25)15-18(23-17)24(19(26)22-15)11-7-8-12(27-3)13(9-11)28-4/h7-10H,5-6H2,1-4H3,(H2,20,25)(H,22,26)