N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloranyl-2-ethylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloranyl-2-ethylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-chloro-2-ethylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(ethylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-ethylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-chloro-2-(ethylthio)pyrimidine-4-carboxamide Formula: C16H17ClN4O2S2 MolecularWeight: 396.91478

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)Cl

InChI

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