6-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-(4-carbethoxypiperazino)-2-keto-ethyl]pyrimidin-4-olate Formula: C20H23N4O4S- MolecularWeight: 415.48602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H24N4O4S/c1-2-28-20(27)24-10-8-23(9-11-24)18(26)13-16-12-17(25)22-19(21-16)29-14-15-6-4-3-5-7-15/h3-7,12H,2,8-11,13-14H2,1H3,(H,21,22,25)/p-1