8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-7-(phenylmethyl)-1,3-bis(pyridin-4-ylmethyl)-9H-purine-2,6-dione

Systemtic Name: 8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-7-(phenylmethyl)-1,3-bis(pyridin-4-ylmethyl)-9H-purine-2,6-dione Openeye Name: 7-benzyl-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-bis(4-pyridylmethyl)-9H-purine-2,6-dione CAS Name: 8-(4-oxo-1-cyclohexa-2,5-dienylidene)-7-(phenylmethyl)-1,3-bis(pyridin-4-ylmethyl)-9H-purine-2,6-dione IUPAC Name: 7-benzyl-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-bis(pyridin-4-ylmethyl)-9H-purine-2,6-dione Traditional Name: 7-benzyl-8-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,3-bis(4-pyridylmethyl)-9H-purine-2,6-quinone Formula: C30H24N6O3 MolecularWeight: 516.54996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(NC2=C4C=CC(=O)C=C4)N(C(=O)N(C3=O)CC5=CC=NC=C5)CC6=CC=NC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(NC2=C4C=CC(=O)C=C4)N(C(=O)N(C3=O)CC5=CC=NC=C5)CC6=CC=NC=C6

InChI

InChI=1S/C30H24N6O3/c37-25-8-6-24(7-9-25)27-33-28-26(34(27)18-21-4-2-1-3-5-21)29(38)36(20-23-12-16-32-17-13-23)30(39)35(28)19-22-10-14-31-15-11-22/h1-17,33H,18-20H2