[1-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [1-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-1-methyl-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [1-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-1-methyl-ethyl] ester Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)OC(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)OC(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C17H18ClN3O5S/c1-8(26-16(24)10-7-9(27-4)5-6-11(10)18)13(22)12-14(19)20(2)17(25)21(3)15(12)23/h5-8H,19H2,1-4H3