(2E)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-7-(phenylmethyl)-3H-purin-6-one

Systemtic Name: (2E)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-7-(phenylmethyl)-3H-purin-6-one Openeye Name: (2E)-7-benzyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-purin-6-one CAS Name: (2E)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-7-(phenylmethyl)-3H-purin-6-one IUPAC Name: (2E)-7-benzyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-purin-6-one Traditional Name: (2E)-7-benzyl-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-3H-purin-6-one Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)NC(=C4C=CC=CC4=O)N3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N/C(=C/4\C=CC=CC4=O)/N3

InChI

InChI=1S/C18H14N4O2/c23-14-9-5-4-8-13(14)16-20-17-15(18(24)21-16)22(11-19-17)10-12-6-2-1-3-7-12/h1-9,11,20H,10H2,(H,21,24)/b16-13+