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

Systemtic Name: methyl 4-[[6-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[6-[2-(cyclopropylamino)-2-oxo-ethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[6-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1H-pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[6-[2-(cyclopropylamino)-2-keto-ethyl]-4-keto-1H-pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3CC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3CC3

InChI

InChI=1S/C18H19N3O4S/c1-25-17(24)12-4-2-11(3-5-12)10-26-18-20-14(9-16(23)21-18)8-15(22)19-13-6-7-13/h2-5,9,13H,6-8,10H2,1H3,(H,19,22)(H,20,21,23)