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

Systemtic Name: 5-chloranyl-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(propylthio)pyrimidine-4-carboxamide Formula: C18H21ClN4O2S2 MolecularWeight: 424.96794

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC)Cl

InChI

InChI=1S/C18H21ClN4O2S2/c1-3-8-26-18-21-9-11(19)14(22-18)16(25)23-17-13(15(24)20-2)10-6-4-5-7-12(10)27-17/h9H,3-8H2,1-2H3,(H,20,24)(H,23,25)