methyl 6-methyl-4-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-methyl-4-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-methyl-4-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-4-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-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)N1)C2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C(=O)OC

InChI

InChI=1S/C15H15N3O6S/c1-7-11(14(19)22-2)12(17-15(25)16-7)10-4-9(18(20)21)3-8-5-23-6-24-13(8)10/h3-4,12H,5-6H2,1-2H3,(H2,16,17,25)