8-[(2E)-2-[(E)-2-bromanyl-3-phenyl-prop-2-enylidene]hydrazinyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(E)-2-bromanyl-3-phenyl-prop-2-enylidene]hydrazinyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[(2E)-2-[(E)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-[(2E)-2-[(E)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[(2E)-2-[(E)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[(N'E)-N'-[(E)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-3-methyl-7-(3-phenylpropyl)xanthine Formula: C24H23BrN6O2 MolecularWeight: 507.38242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC(=CC3=CC=CC=C3)Br)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C(=C\C3=CC=CC=C3)/Br)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H23BrN6O2/c1-30-21-20(22(32)28-24(30)33)31(14-8-13-17-9-4-2-5-10-17)23(27-21)29-26-16-19(25)15-18-11-6-3-7-12-18/h2-7,9-12,15-16H,8,13-14H2,1H3,(H,27,29)(H,28,32,33)/b19-15+,26-16+