2-[2-[(3-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(3-methoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[m-anisyl(methyl)amino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H22N3O3S- MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-4-6-14-10-16(22)20-18(19-14)25-12-17(23)21(2)11-13-7-5-8-15(9-13)24-3/h5,7-10H,4,6,11-12H2,1-3H3,(H,19,20,22)/p-1