1-[(4-chlorophenyl)methyl]-4-methyl-2-phenethylsulfanyl-7H-imidazo[4,5-b]pyrazine-5,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-methyl-2-phenethylsulfanyl-7H-imidazo[4,5-b]pyrazine-5,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-4-methyl-2-phenethylsulfanyl-7H-imidazo[4,5-b]pyrazine-5,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-4-methyl-2-(phenethylthio)-7H-imidazo[4,5-b]pyrazine-5,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-methyl-2-phenethylsulfanyl-7H-imidazo[4,5-b]pyrazine-5,6-dione Traditional Name: 1-(4-chlorobenzyl)-4-methyl-2-(phenethylthio)-7H-imidazo[4,5-b]pyrazine-5,6-quinone Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC(=O)C1=O)N(C(=N2)SCCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(NC(=O)C1=O)N(C(=N2)SCCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4O2S/c1-25-17-18(23-19(27)20(25)28)26(13-15-7-9-16(22)10-8-15)21(24-17)29-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,23,27)