N-(5-chloranyl-2-methoxy-phenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetamide Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC=NC(=C2)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC=NC(=C2)N3CCCC3

InChI

InChI=1S/C17H19ClN4O2S/c1-24-14-5-4-12(18)8-13(14)21-16(23)10-25-17-9-15(19-11-20-17)22-6-2-3-7-22/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,21,23)