8-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 8-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-[2-[(3-bromophenyl)methylene]hydrazino]-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-[N'-(3-bromobenzylidene)hydrazino]-7-isoamyl-3-methyl-xanthine Formula: C18H21BrN6O2 MolecularWeight: 433.30234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1NN=CC3=CC(=CC=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1NN=CC3=CC(=CC=C3)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H21BrN6O2/c1-11(2)7-8-25-14-15(24(3)18(27)22-16(14)26)21-17(25)23-20-10-12-5-4-6-13(19)9-12/h4-6,9-11H,7-8H2,1-3H3,(H,21,23)(H,22,26,27)