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

Systemtic Name: 8-[(2E)-2-[(Z)-2-bromanyl-3-phenyl-prop-2-enylidene]hydrazinyl]-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(Z)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-[(Z)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-7-(2-hydroxyethyl)-3-methyl-xanthine Formula: C17H17BrN6O3 MolecularWeight: 433.25928

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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)CCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C(=C/C3=CC=CC=C3)/Br)CCO

InChI

InChI=1S/C17H17BrN6O3/c1-23-14-13(15(26)21-17(23)27)24(7-8-25)16(20-14)22-19-10-12(18)9-11-5-3-2-4-6-11/h2-6,9-10,25H,7-8H2,1H3,(H,20,22)(H,21,26,27)/b12-9-,19-10+