2-[4-azanyl-3-methyl-2,6-bis(oxidanylidene)-5-piperidin-1-yl-pyrimidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-azanyl-3-methyl-2,6-bis(oxidanylidene)-5-piperidin-1-yl-pyrimidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[4-amino-3-methyl-2,6-dioxo-5-(1-piperidyl)pyrimidin-1-yl]acetamide CAS Name: 2-[4-amino-3-methyl-2,6-dioxo-5-(1-piperidinyl)-1-pyrimidinyl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-(4-amino-2,6-diketo-3-methyl-5-piperidino-pyrimidin-1-yl)acetamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2SCC=C)N3CCCCC3)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2SCC=C)N3CCCCC3)N

InChI

InChI=1S/C21H27N5O3S/c1-3-13-30-16-10-6-5-9-15(16)23-17(27)14-26-20(28)18(19(22)24(2)21(26)29)25-11-7-4-8-12-25/h3,5-6,9-10H,1,4,7-8,11-14,22H2,2H3,(H,23,27)