8-[(2E)-2-[(E)-2-bromanyl-3-phenyl-prop-2-enylidene]hydrazinyl]-1,3-dimethyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(E)-2-bromanyl-3-phenyl-prop-2-enylidene]hydrazinyl]-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(E)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(E)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(E)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-[(E)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-1,3-dimethyl-7-propyl-xanthine Formula: C19H21BrN6O2 MolecularWeight: 445.31304

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NN=CC(=CC3=CC=CC=C3)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1N/N=C/C(=C\C3=CC=CC=C3)/Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H21BrN6O2/c1-4-10-26-15-16(24(2)19(28)25(3)17(15)27)22-18(26)23-21-12-14(20)11-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,22,23)/b14-11+,21-12+