4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-N-[4-(methylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(2,6-dimethyl-5-p-anisyl-pyrimidin-4-yl)-N-[4-(methylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)SC)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)SC)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H33N5O2S/c1-19-25(18-21-6-10-23(34-3)11-7-21)26(29-20(2)28-19)31-14-5-15-32(17-16-31)27(33)30-22-8-12-24(35-4)13-9-22/h6-13H,5,14-18H2,1-4H3,(H,30,33)