ethyl 4-[6-methyl-2-[1-[2-(4-methylpyrimidin-2-yl)sulfanylethanoyl]piperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-methyl-2-[1-[2-(4-methylpyrimidin-2-yl)sulfanylethanoyl]piperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[6-methyl-2-[1-[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]-4-piperidyl]pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-methyl-2-[1-[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]-4-piperidinyl]-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-methyl-2-[1-[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]pyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[6-methyl-2-[1-[2-[(4-methylpyrimidin-2-yl)thio]acetyl]-4-piperidyl]nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H34N6O4S MolecularWeight: 526.65096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)CSC4=NC=CC(=N4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)CSC4=NC=CC(=N4)C

InChI

InChI=1S/C26H34N6O4S/c1-4-36-26(35)32-15-13-31(14-16-32)24(34)21-6-5-18(2)28-23(21)20-8-11-30(12-9-20)22(33)17-37-25-27-10-7-19(3)29-25/h5-7,10,20H,4,8-9,11-17H2,1-3H3