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

Systemtic Name: 8-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-(3-phenylpropyl)xanthine Formula: C22H21BrN6O3 MolecularWeight: 497.34454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=C(C=CC3=O)Br)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=C(C=CC3=O)Br)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H21BrN6O3/c1-28-19-18(20(31)26-22(28)32)29(11-5-8-14-6-3-2-4-7-14)21(25-19)27-24-13-15-12-16(23)9-10-17(15)30/h2-4,6-7,9-10,12-13,24H,5,8,11H2,1H3,(H,25,27)(H,26,31,32)