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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C14H13N3O6S/c1-7-9(4-15-14(24)16-7)13(18)21-5-8-2-11-12(23-6-22-11)3-10(8)17(19)20/h2-3H,4-6H2,1H3,(H2,15,16,24)