N-[6-acetamido-4-oxidanylidene-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-acetamido-4-oxidanylidene-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[6-acetamido-4-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[6-acetamido-4-oxo-2-[2-(1-pyrrolidinyl)ethylthio]-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[6-acetamido-4-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[6-acetamido-4-keto-2-(2-pyrrolidinoethylthio)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=O)N=C(N1)SCCN2CCCC2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(=O)NC1=C(C(=O)N=C(N1)SCCN2CCCC2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C17H21N5O3S2/c1-11(23)18-14-13(19-15(24)12-5-4-9-26-12)16(25)21-17(20-14)27-10-8-22-6-2-3-7-22/h4-5,9H,2-3,6-8,10H2,1H3,(H,19,24)(H2,18,20,21,23,25)