2-[2-[[4-(4-methylpiperidin-1-yl)carbonylphenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[4-(4-methylpiperidin-1-yl)carbonylphenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[4-(4-methylpiperidine-1-carbonyl)anilino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C22H27N4O3S- MolecularWeight: 427.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCC(CC3)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCC(CC3)C)[O-]

InChI

InChI=1S/C22H28N4O3S/c1-3-4-18-13-19(27)25-22(24-18)30-14-20(28)23-17-7-5-16(6-8-17)21(29)26-11-9-15(2)10-12-26/h5-8,13,15H,3-4,9-12,14H2,1-2H3,(H,23,28)(H,24,25,27)/p-1