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

Systemtic Name: N-[2-(2-diethylaminoethylsulfanyl)-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[2-(2-diethylaminoethylsulfanyl)-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide CAS Name: N-[2-(2-diethylaminoethylthio)-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[2-(2-diethylaminoethylsulfanyl)-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[2-(2-diethylaminoethylthio)-4-keto-6-propionamido-1H-pyrimidin-5-yl]benzamide Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=O)N=C(N1)SCCN(CC)CC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC1=C(C(=O)N=C(N1)SCCN(CC)CC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H27N5O3S/c1-4-15(26)21-17-16(22-18(27)14-10-8-7-9-11-14)19(28)24-20(23-17)29-13-12-25(5-2)6-3/h7-11H,4-6,12-13H2,1-3H3,(H,22,27)(H2,21,23,24,26,28)