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

Systemtic Name: N-[4-oxidanylidene-6-(propanoylamino)-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[4-oxo-6-(propanoylamino)-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]benzamide CAS Name: N-[4-oxo-6-(1-oxopropylamino)-2-[2-(1-pyrrolidinyl)ethylthio]-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[4-oxo-6-(propanoylamino)-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[4-keto-6-propionamido-2-(2-pyrrolidinoethylthio)-1H-pyrimidin-5-yl]benzamide Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3S/c1-2-15(26)21-17-16(22-18(27)14-8-4-3-5-9-14)19(28)24-20(23-17)29-13-12-25-10-6-7-11-25/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,22,27)(H2,21,23,24,26,28)