5-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 5-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5-[2-[(1-ethoxycarbonyl-4-piperidyl)amino]-2-oxo-ethyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-[(1-ethoxycarbonyl-4-piperidinyl)amino]-2-oxoethyl]-6-methyl-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-5-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-6-methylpyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-[2-[(1-carbethoxy-4-piperidyl)amino]-2-keto-ethyl]-6-methyl-pyrimidin-4-olate Formula: C22H27N4O4S- MolecularWeight: 443.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CC2=C(N=C(N=C2[O-])SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CC2=C(N=C(N=C2[O-])SCC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N4O4S/c1-3-30-22(29)26-11-9-17(10-12-26)24-19(27)13-18-15(2)23-21(25-20(18)28)31-14-16-7-5-4-6-8-16/h4-8,17H,3,9-14H2,1-2H3,(H,24,27)(H,23,25,28)/p-1