methyl 6-methyl-2-oxidanylidene-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-methyl-2-oxidanylidene-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-oxo-4-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H25N3O4S/c1-14-18(20(26)28-2)19(23-21(27)22-14)29-13-17(25)24-10-8-16(9-11-24)12-15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3,(H,22,23,27)