2-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[2-(4-methoxyphenyl)ethylamino]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)NCCC2=CC=C(C=C2)OC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NCCC2=CC=C(C=C2)OC)[O-]

InChI

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