3-methyl-8-[2-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-(2-phenoxyethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[2-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 8-[2-[(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 8-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 8-[2-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 8-[N'-[(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C21H20N6O5 MolecularWeight: 436.4207

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=CC(=O)C=C3O)CCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=CC(=O)C=C3O)CCOC4=CC=CC=C4

InChI

InChI=1S/C21H20N6O5/c1-26-18-17(19(30)24-21(26)31)27(9-10-32-15-5-3-2-4-6-15)20(23-18)25-22-12-13-7-8-14(28)11-16(13)29/h2-8,11-12,22,29H,9-10H2,1H3,(H,23,25)(H,24,30,31)