2-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[methyl(p-tolylmethyl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[methyl-(4-methylbenzyl)amino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H22N3O2S- MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N(C)CC2=CC=C(C=C2)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N(C)CC2=CC=C(C=C2)C)[O-]

InChI

InChI=1S/C18H23N3O2S/c1-4-5-15-10-16(22)20-18(19-15)24-12-17(23)21(3)11-14-8-6-13(2)7-9-14/h6-10H,4-5,11-12H2,1-3H3,(H,19,20,22)/p-1