2-methylsulfanyl-6,8-diphenyl-1,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one

Systemtic Name: 2-methylsulfanyl-6,8-diphenyl-1,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one Openeye Name: 2-methylsulfanyl-6,8-diphenyl-1,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one CAS Name: 2-(methylthio)-6,8-diphenyl-1,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one IUPAC Name: 2-methylsulfanyl-6,8-diphenyl-1,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one Traditional Name: 2-(methylthio)-6,8-diphenyl-1,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)NC(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)NC(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4OS/c1-26-20-23-18-17(19(25)24-20)21-15(13-8-4-2-5-9-13)12-16(22-18)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H2,22,23,24,25)