[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-(6-amino-1-benzyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[4-amino-1-methyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(6-amino-1-benzyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O5S/c1-25-22(29)20(21(24)26(23(25)30)14-16-8-4-2-5-9-16)18(27)15-31-19(28)12-13-32-17-10-6-3-7-11-17/h2-11H,12-15,24H2,1H3