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

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C16H19ClN4OS2 MolecularWeight: 382.93126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCCN(CC2)CC3=CC=CS3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCCN(CC2)CC3=CC=CS3)Cl

InChI

InChI=1S/C16H19ClN4OS2/c1-23-16-18-10-13(17)14(19-16)15(22)21-6-3-5-20(7-8-21)11-12-4-2-9-24-12/h2,4,9-10H,3,5-8,11H2,1H3