3-methyl-7-phenethyl-8-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-phenethyl-8-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]purine-2,6-dione Openeye Name: 3-methyl-7-phenethyl-8-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-phenethyl-8-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-phenethyl-8-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]purine-2,6-dione Traditional Name: 3-methyl-7-phenethyl-8-[(N'E)-N'-[(E)-3-phenylprop-2-enylidene]hydrazino]xanthine Formula: C23H22N6O2 MolecularWeight: 414.45978

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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)CCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O2/c1-28-20-19(21(30)26-23(28)31)29(16-14-18-11-6-3-7-12-18)22(25-20)27-24-15-8-13-17-9-4-2-5-10-17/h2-13,15H,14,16H2,1H3,(H,25,27)(H,26,30,31)/b13-8+,24-15+