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

Systemtic Name: N-[4-oxidanylidene-6-(propanoylamino)-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[4-oxo-6-(propanoylamino)-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[4-oxo-6-(1-oxopropylamino)-2-[2-(1-pyrrolidinyl)ethylthio]-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[4-oxo-6-(propanoylamino)-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[4-keto-6-propionamido-2-(2-pyrrolidinoethylthio)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C18H23N5O3S2 MolecularWeight: 421.53692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3S2/c1-2-13(24)19-15-14(20-16(25)12-6-5-10-27-12)17(26)22-18(21-15)28-11-9-23-7-3-4-8-23/h5-6,10H,2-4,7-9,11H2,1H3,(H,20,25)(H2,19,21,22,24,26)