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

Systemtic Name: 8-[2-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 8-[2-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 8-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 8-[N'-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C22H21BrN6O5 MolecularWeight: 529.34334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=C(C(=O)C(=C3)Br)OC)CCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=C(C(=O)C(=C3)Br)OC)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H21BrN6O5/c1-28-19-17(20(31)26-22(28)32)29(8-9-34-14-6-4-3-5-7-14)21(25-19)27-24-12-13-10-15(23)18(30)16(11-13)33-2/h3-7,10-12,24H,8-9H2,1-2H3,(H,25,27)(H,26,31,32)