methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-28-20(27)13-17-12-18(25)23-21(22-17)29-14-19(26)24-9-7-16(8-10-24)11-15-5-3-2-4-6-15/h2-6,12,16H,7-11,13-14H2,1H3,(H,22,23,25)