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

Systemtic Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-bromophenyl)methylene]hydrazino]-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(4-bromobenzylidene)hydrazino]-7-hexyl-3-methyl-xanthine Formula: C19H23BrN6O2 MolecularWeight: 447.32892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H23BrN6O2/c1-3-4-5-6-11-26-15-16(25(2)19(28)23-17(15)27)22-18(26)24-21-12-13-7-9-14(20)10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,22,24)(H,23,27,28)/b21-12+