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

Systemtic Name: [2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-(6-amino-1-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-(6-amino-1-methyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-(6-amino-2,4-diketo-1-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C15H15N3O5S MolecularWeight: 349.3617

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=O)C(=O)COC(=O)CSC2=CC=CC=C2)N

Isomeric SMILES

CN1C(=C(C(=O)NC1=O)C(=O)COC(=O)CSC2=CC=CC=C2)N

InChI

InChI=1S/C15H15N3O5S/c1-18-13(16)12(14(21)17-15(18)22)10(19)7-23-11(20)8-24-9-5-3-2-4-6-9/h2-6H,7-8,16H2,1H3,(H,17,21,22)