ethyl 4-[2-[(1-ethylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-(furan-2-yl)-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-[(1-ethylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-(furan-2-yl)-6-methyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-[(1-ethyl-4-piperidyl)amino]-2-oxo-ethyl]sulfanyl-2-(2-furyl)-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-[(1-ethyl-4-piperidinyl)amino]-2-oxoethyl]thio]-2-(2-furanyl)-6-methyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(1-ethylpiperidin-4-yl)amino]-2-oxoethyl]sulfanyl-2-(furan-2-yl)-6-methylpyrimidine-5-carboxylate Traditional Name: 4-[[2-[(1-ethyl-4-piperidyl)amino]-2-keto-ethyl]thio]-2-(2-furyl)-6-methyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)NC(=O)CSC2=NC(=NC(=C2C(=O)OCC)C)C3=CC=CO3

Isomeric SMILES

CCN1CCC(CC1)NC(=O)CSC2=NC(=NC(=C2C(=O)OCC)C)C3=CC=CO3

InChI

InChI=1S/C21H28N4O4S/c1-4-25-10-8-15(9-11-25)23-17(26)13-30-20-18(21(27)28-5-2)14(3)22-19(24-20)16-7-6-12-29-16/h6-7,12,15H,4-5,8-11,13H2,1-3H3,(H,23,26)