methyl 4-[[6-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[6-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[6-[2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-4-oxo-1H-pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-keto-6-[2-keto-2-(m-anisylamino)ethyl]-1H-pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H23N3O5S/c1-30-19-5-3-4-16(10-19)13-24-20(27)11-18-12-21(28)26-23(25-18)32-14-15-6-8-17(9-7-15)22(29)31-2/h3-10,12H,11,13-14H2,1-2H3,(H,24,27)(H,25,26,28)