5-methyl-2-(3-methyl-2-oxidanylidene-4,6-diphenyl-1H-pyrimidin-4-yl)-2,4-diphenyl-3-phenylsulfanyl-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-phenylsulfanyl-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-phenylsulfanyl-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-(phenylthio)-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-phenylsulfanyl-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-(phenylthio)-1,5-diazabicyclo[2.2.0]hexan-6-one Formula: C40H34N4O2S MolecularWeight: 634.78856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)NC(=CC1(C2=CC=CC=C2)C3(C(C4(N3C(=O)N4C)C5=CC=CC=C5)SC6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CN1C(=O)NC(=CC1(C2=CC=CC=C2)C3(C(C4(N3C(=O)N4C)C5=CC=CC=C5)SC6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C40H34N4O2S/c1-42-36(45)41-34(29-18-8-3-9-19-29)28-38(42,30-20-10-4-11-21-30)39(31-22-12-5-13-23-31)35(47-33-26-16-7-17-27-33)40(32-24-14-6-15-25-32)43(2)37(46)44(39)40/h3-28,35H,1-2H3,(H,41,45)