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

Systemtic Name: 3-methyl-7-phenethyl-8-[(2E)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2E)-2-benzylidenehydrazino]-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 3-methyl-7-phenethyl-8-[(2E)-2-(phenylmethylene)hydrazinyl]purine-2,6-dione IUPAC Name: 8-[(2E)-2-benzylidenehydrazinyl]-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-benzalhydrazino]-3-methyl-7-phenethyl-xanthine Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O2/c1-26-18-17(19(28)24-21(26)29)27(13-12-15-8-4-2-5-9-15)20(23-18)25-22-14-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,23,25)(H,24,28,29)/b22-14+