methyl (4R)-4-(4-chloranyl-3-nitro-phenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4R)-4-(4-chloranyl-3-nitro-phenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-4-(4-chloro-3-nitro-phenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-chloro-3-nitrophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-(4-chloro-3-nitrophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-chloro-3-nitro-phenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C15H16ClN3O4S MolecularWeight: 369.82324

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCC1=C([C@H](NC(=S)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H16ClN3O4S/c1-3-4-10-12(14(20)23-2)13(18-15(24)17-10)8-5-6-9(16)11(7-8)19(21)22/h5-7,13H,3-4H2,1-2H3,(H2,17,18,24)/t13-/m1/s1