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

Systemtic Name: 8-[(2E)-2-[(Z)-2-bromanyl-3-phenyl-prop-2-enylidene]hydrazinyl]-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(Z)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-[(Z)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-3-methyl-7-phenethyl-xanthine Formula: C23H21BrN6O2 MolecularWeight: 493.35584

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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)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C(=C/C3=CC=CC=C3)/Br)CCC4=CC=CC=C4

InChI

InChI=1S/C23H21BrN6O2/c1-29-20-19(21(31)27-23(29)32)30(13-12-16-8-4-2-5-9-16)22(26-20)28-25-15-18(24)14-17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3,(H,26,28)(H,27,31,32)/b18-14-,25-15+