5-[3-(4-cyclopropylcarbonylpiperazin-1-yl)-3-oxidanylidene-propyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 5-[3-(4-cyclopropylcarbonylpiperazin-1-yl)-3-oxidanylidene-propyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxo-propyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[3-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-oxopropyl]-6-methyl-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-5-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-6-methylpyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-[3-[4-(cyclopropanecarbonyl)piperazino]-3-keto-propyl]-6-methyl-pyrimidin-4-olate Formula: C23H27N4O3S- MolecularWeight: 439.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CCC(=O)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CCC(=O)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C23H28N4O3S/c1-16-19(21(29)25-23(24-16)31-15-17-5-3-2-4-6-17)9-10-20(28)26-11-13-27(14-12-26)22(30)18-7-8-18/h2-6,18H,7-15H2,1H3,(H,24,25,29)/p-1