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

Systemtic Name: 3-methyl-8-[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 3-methyl-8-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 3-methyl-8-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 3-methyl-8-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 8-[N'-[(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=CC=CC3=O)CCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=CC=CC3=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C21H20N6O4/c1-26-18-17(19(29)24-21(26)30)27(11-12-31-15-8-3-2-4-9-15)20(23-18)25-22-13-14-7-5-6-10-16(14)28/h2-10,13,22H,11-12H2,1H3,(H,23,25)(H,24,29,30)