(2E)-2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-7-(phenylmethyl)-3H-purin-6-one

Systemtic Name: (2E)-2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-7-(phenylmethyl)-3H-purin-6-one Openeye Name: (2E)-7-benzyl-2-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-purin-6-one CAS Name: (2E)-2-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-7-(phenylmethyl)-3H-purin-6-one IUPAC Name: (2E)-7-benzyl-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-purin-6-one Traditional Name: (2E)-7-benzyl-2-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-purin-6-one Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)NC(=C4C=CC(=O)C(=C4)O)N3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N/C(=C/4\C=CC(=O)C(=C4)O)/N3

InChI

InChI=1S/C18H14N4O3/c23-13-7-6-12(8-14(13)24)16-20-17-15(18(25)21-16)22(10-19-17)9-11-4-2-1-3-5-11/h1-8,10,20,24H,9H2,(H,21,25)/b16-12+