N-(5-aminocarbonyl-2-pyrrolidin-1-yl-phenyl)-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-(5-aminocarbonyl-2-pyrrolidin-1-yl-phenyl)-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(5-carbamoyl-2-pyrrolidin-1-yl-phenyl)-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-[5-carbamoyl-2-(1-pyrrolidinyl)phenyl]-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(5-carbamoyl-2-pyrrolidino-phenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C17H18ClN5O2S MolecularWeight: 391.87512

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3)Cl

InChI

InChI=1S/C17H18ClN5O2S/c1-26-17-20-9-11(18)14(22-17)16(25)21-12-8-10(15(19)24)4-5-13(12)23-6-2-3-7-23/h4-5,8-9H,2-3,6-7H2,1H3,(H2,19,24)(H,21,25)