methyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H15N3O6S MolecularWeight: 377.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C16H15N3O6S/c1-8-13(15(21)23-2)14(19-16(22)17-8)26-6-12(20)18-9-3-4-10-11(5-9)25-7-24-10/h3-5H,6-7H2,1-2H3,(H,18,20)(H,17,19,22)