methyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C15H15N3O6S MolecularWeight: 365.3611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OC

InChI

InChI=1S/C15H15N3O6S/c1-7-12(14(19)22-3)13(16-15(25)17(7)2)8-4-10-11(24-6-23-10)5-9(8)18(20)21/h4-5,13H,6H2,1-3H3,(H,16,25)