4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-N-[4-(methylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-[4-(methylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C27H33N5OS MolecularWeight: 475.64882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)SC)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)SC)C(C)C

InChI

InChI=1S/C27H33N5OS/c1-19(2)24-20(3)28-25(21-9-6-5-7-10-21)30-26(24)31-15-8-16-32(18-17-31)27(33)29-22-11-13-23(34-4)14-12-22/h5-7,9-14,19H,8,15-18H2,1-4H3,(H,29,33)