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

Systemtic Name: [2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-(6-amino-1-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic 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] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic 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)C2=CC=C(C=C2)SC)N

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O5S/c1-18-12(16)11(13(20)17-15(18)22)10(19)7-23-14(21)8-3-5-9(24-2)6-4-8/h3-6H,7,16H2,1-2H3,(H,17,20,22)