[2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate

Systemtic Name: [2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CSC2=CC=CC=C2)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CSC2=CC=CC=C2)N

InChI

InChI=1S/C16H17N3O5S/c1-18-14(17)13(15(22)19(2)16(18)23)11(20)8-24-12(21)9-25-10-6-4-3-5-7-10/h3-7H,8-9,17H2,1-2H3