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

Systemtic Name: 8-[(2E)-2-[(E)-2-bromanyl-3-phenyl-prop-2-enylidene]hydrazinyl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(E)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(E)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(E)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-[(E)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-3-methyl-7-propyl-xanthine Formula: C18H19BrN6O2 MolecularWeight: 431.28646

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NN=CC(=CC3=CC=CC=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N/N=C/C(=C\C3=CC=CC=C3)/Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H19BrN6O2/c1-3-9-25-14-15(24(2)18(27)22-16(14)26)21-17(25)23-20-11-13(19)10-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,21,23)(H,22,26,27)/b13-10+,20-11+