9-(3-chlorophenyl)-2-(4-ethoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(3-chlorophenyl)-2-(4-ethoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(3-chlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3-chlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(3-chlorophenyl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(3-chlorophenyl)-8-keto-2-p-phenetyl-7H-purine-6-carboxamide Formula: C20H16ClN5O3 MolecularWeight: 409.82574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=CC=C4)Cl)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=CC=C4)Cl)C(=O)N

InChI

InChI=1S/C20H16ClN5O3/c1-2-29-14-8-6-11(7-9-14)18-23-15(17(22)27)16-19(25-18)26(20(28)24-16)13-5-3-4-12(21)10-13/h3-10H,2H2,1H3,(H2,22,27)(H,24,28)