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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1NN=CC(=CC3=CC=CC=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1N/N=C/C(=C\C3=CC=CC=C3)/Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H21BrN6O2/c1-12(2)11-26-15-16(25(3)19(28)23-17(15)27)22-18(26)24-21-10-14(20)9-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,22,24)(H,23,27,28)/b14-9+,21-10+