8-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-pentyl-purine-2,6-dione

Systemtic Name: 8-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[(2Z)-2-[(4-bromophenyl)methylene]hydrazino]-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[(N'Z)-N'-(4-bromobenzylidene)hydrazino]-3-methyl-xanthine Formula: C18H21BrN6O2 MolecularWeight: 433.30234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N/N=C\C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H21BrN6O2/c1-3-4-5-10-25-14-15(24(2)18(27)22-16(14)26)21-17(25)23-20-11-12-6-8-13(19)9-7-12/h6-9,11H,3-5,10H2,1-2H3,(H,21,23)(H,22,26,27)/b20-11-