5-chloranyl-2-methylsulfanyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[3-(3-pyridylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[3-[oxo-(3-pyridinylmethylamino)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[3-(3-pyridylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyrimidine-4-carboxamide Formula: C20H18ClN5O2S2 MolecularWeight: 459.97222

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)NCC4=CN=CC=C4)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)NCC4=CN=CC=C4)Cl

InChI

InChI=1S/C20H18ClN5O2S2/c1-29-20-24-10-13(21)16(25-20)18(28)26-19-15(12-5-2-6-14(12)30-19)17(27)23-9-11-4-3-7-22-8-11/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,23,27)(H,26,28)