6-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-[(5-ethoxycarbonyl-4-methyl-thiazol-2-yl)amino]-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-[(5-ethoxycarbonyl-4-methyl-2-thiazolyl)amino]-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-[(5-carbethoxy-4-methyl-thiazol-2-yl)amino]-2-keto-ethyl]pyrimidin-4-olate Formula: C20H19N4O4S2- MolecularWeight: 443.51926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-])C

InChI

InChI=1S/C20H20N4O4S2/c1-3-28-18(27)17-12(2)21-20(30-17)24-16(26)10-14-9-15(25)23-19(22-14)29-11-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3,(H,21,24,26)(H,22,23,25)/p-1