(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-(4-p-anisyl-1,4-diazepan-1-yl)methanone Formula: C19H23ClN4O2S MolecularWeight: 406.92952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C19H23ClN4O2S/c1-26-15-6-4-14(5-7-15)13-23-8-3-9-24(11-10-23)18(25)17-16(20)12-21-19(22-17)27-2/h4-7,12H,3,8-11,13H2,1-2H3