5-chloranyl-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H17ClN4O2S2 MolecularWeight: 396.91478

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C16H17ClN4O2S2/c1-18-13(22)11-8-5-3-4-6-10(8)25-15(11)21-14(23)12-9(17)7-19-16(20-12)24-2/h7H,3-6H2,1-2H3,(H,18,22)(H,21,23)