8-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-7-methyl-3-(phenylmethyl)-9H-purine-2,6-dione

Systemtic Name: 8-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-7-methyl-3-(phenylmethyl)-9H-purine-2,6-dione Openeye Name: 3-benzyl-8-(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-7-methyl-9H-purine-2,6-dione CAS Name: 8-(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)-7-methyl-3-(phenylmethyl)-9H-purine-2,6-dione IUPAC Name: 3-benzyl-8-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-7-methyl-9H-purine-2,6-dione Traditional Name: 3-benzyl-8-(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)-7-methyl-9H-purine-2,6-quinone Formula: C19H15ClN4O3 MolecularWeight: 382.8004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC1=C3C=C(C=CC3=O)Cl)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(NC1=C3C=C(C=CC3=O)Cl)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H15ClN4O3/c1-23-15-17(21-16(23)13-9-12(20)7-8-14(13)25)24(19(27)22-18(15)26)10-11-5-3-2-4-6-11/h2-9,21H,10H2,1H3,(H,22,26,27)