5-methyl-2-(3-methyl-2-oxidanylidene-4,6-diphenyl-1H-pyrimidin-4-yl)-2,4-diphenyl-3-propylsulfanyl-1,5-diazabicyclo[2.2.0]hexan-6-one

Systemtic Name: 5-methyl-2-(3-methyl-2-oxidanylidene-4,6-diphenyl-1H-pyrimidin-4-yl)-2,4-diphenyl-3-propylsulfanyl-1,5-diazabicyclo[2.2.0]hexan-6-one Openeye Name: 5-methyl-2-(3-methyl-2-oxo-4,6-diphenyl-1H-pyrimidin-4-yl)-2,4-diphenyl-3-propylsulfanyl-1,5-diazabicyclo[2.2.0]hexan-6-one CAS Name: 5-methyl-2-(3-methyl-2-oxo-4,6-diphenyl-1H-pyrimidin-4-yl)-2,4-diphenyl-3-(propylthio)-1,5-diazabicyclo[2.2.0]hexan-6-one IUPAC Name: 5-methyl-2-(3-methyl-2-oxo-4,6-diphenyl-1H-pyrimidin-4-yl)-2,4-diphenyl-3-propylsulfanyl-1,5-diazabicyclo[2.2.0]hexan-6-one Traditional Name: 2-(2-keto-3-methyl-4,6-diphenyl-1H-pyrimidin-4-yl)-5-methyl-2,4-diphenyl-3-(propylthio)-1,5-diazabicyclo[2.2.0]hexan-6-one Formula: C37H36N4O2S MolecularWeight: 600.77234

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1C(N2C1(N(C2=O)C)C3=CC=CC=C3)(C4=CC=CC=C4)C5(C=C(NC(=O)N5C)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CCCSC1C(N2C1(N(C2=O)C)C3=CC=CC=C3)(C4=CC=CC=C4)C5(C=C(NC(=O)N5C)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C37H36N4O2S/c1-4-25-44-32-36(29-21-13-7-14-22-29,41-34(43)40(3)37(32,41)30-23-15-8-16-24-30)35(28-19-11-6-12-20-28)26-31(38-33(42)39(35)2)27-17-9-5-10-18-27/h5-24,26,32H,4,25H2,1-3H3,(H,38,42)