5-[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 5-[2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-[2-(4-carbamoylpiperidino)-2-keto-ethyl]-2-(m-anisylthio)-6-methyl-pyrimidin-4-olate Formula: C21H25N4O4S- MolecularWeight: 429.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)OC)[O-])CC(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)OC)[O-])CC(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H26N4O4S/c1-13-17(11-18(26)25-8-6-15(7-9-25)19(22)27)20(28)24-21(23-13)30-12-14-4-3-5-16(10-14)29-2/h3-5,10,15H,6-9,11-12H2,1-2H3,(H2,22,27)(H,23,24,28)/p-1