2-methoxyethyl (4R)-4-[4-(dimethylamino)-3-nitro-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl (4R)-4-[4-(dimethylamino)-3-nitro-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (4R)-4-[4-(dimethylamino)-3-nitro-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-[4-(dimethylamino)-3-nitrophenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4R)-4-[4-(dimethylamino)-3-nitrophenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-[4-(dimethylamino)-3-nitro-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C17H22N4O5S/c1-10-14(16(22)26-8-7-25-4)15(19-17(27)18-10)11-5-6-12(20(2)3)13(9-11)21(23)24/h5-6,9,15H,7-8H2,1-4H3,(H2,18,19,27)/t15-/m1/s1