9-(3-methoxyphenyl)-8-oxidanylidene-2-pentan-3-yl-7H-purine-6-carboxamide

Systemtic Name: 9-(3-methoxyphenyl)-8-oxidanylidene-2-pentan-3-yl-7H-purine-6-carboxamide Openeye Name: 2-(1-ethylpropyl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3-methoxyphenyl)-8-oxo-2-pentan-3-yl-7H-purine-6-carboxamide IUPAC Name: 9-(3-methoxyphenyl)-8-oxo-2-pentan-3-yl-7H-purine-6-carboxamide Traditional Name: 2-(1-ethylpropyl)-8-keto-9-(3-methoxyphenyl)-7H-purine-6-carboxamide Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O3/c1-4-10(5-2)16-20-13(15(19)24)14-17(22-16)23(18(25)21-14)11-7-6-8-12(9-11)26-3/h6-10H,4-5H2,1-3H3,(H2,19,24)(H,21,25)