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

Systemtic Name: 2-[4-azanyl-2,6-bis(oxidanylidene)-5-piperidin-1-yl-3-propyl-pyrimidin-1-yl]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-amino-2,6-dioxo-5-(1-piperidyl)-3-propyl-pyrimidin-1-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[4-amino-2,6-dioxo-5-(1-piperidinyl)-3-propyl-1-pyrimidinyl]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-(4-amino-2,6-diketo-5-piperidino-3-propyl-pyrimidin-1-yl)-N-[2-(methylthio)phenyl]acetamide Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2SC)N3CCCCC3)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2SC)N3CCCCC3)N

InChI

InChI=1S/C21H29N5O3S/c1-3-11-25-19(22)18(24-12-7-4-8-13-24)20(28)26(21(25)29)14-17(27)23-15-9-5-6-10-16(15)30-2/h5-6,9-10H,3-4,7-8,11-14,22H2,1-2H3,(H,23,27)