methyl (4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OC

InChI

InChI=1S/C14H13N3O6S/c1-6-11(13(18)21-2)12(16-14(24)15-6)7-3-9-10(23-5-22-9)4-8(7)17(19)20/h3-4,12H,5H2,1-2H3,(H2,15,16,24)/t12-/m1/s1