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

Systemtic Name: 2-[4-azanyl-3-(2-methoxyethyl)-2,6-bis(oxidanylidene)-5-piperidin-1-yl-pyrimidin-1-yl]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-amino-3-(2-methoxyethyl)-2,6-dioxo-5-(1-piperidyl)pyrimidin-1-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[4-amino-3-(2-methoxyethyl)-2,6-dioxo-5-(1-piperidinyl)-1-pyrimidinyl]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-amino-3-(2-methoxyethyl)-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-amino-2,6-diketo-3-(2-methoxyethyl)-5-piperidino-pyrimidin-1-yl]-N-[2-(methylthio)phenyl]acetamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C(C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2SC)N3CCCCC3)N

Isomeric SMILES

COCCN1C(=C(C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2SC)N3CCCCC3)N

InChI

InChI=1S/C21H29N5O4S/c1-30-13-12-25-19(22)18(24-10-6-3-7-11-24)20(28)26(21(25)29)14-17(27)23-15-8-4-5-9-16(15)31-2/h4-5,8-9H,3,6-7,10-14,22H2,1-2H3,(H,23,27)