1-(2-chloranyl-3-nitro-phenyl)-6-methyl-3-[methyl(propan-2-yl)carbamoyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 1-(2-chloranyl-3-nitro-phenyl)-6-methyl-3-[methyl(propan-2-yl)carbamoyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid Openeye Name: 1-(2-chloro-3-nitro-phenyl)-3-[isopropyl(methyl)carbamoyl]-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylic acid CAS Name: 1-(2-chloro-3-nitrophenyl)-6-methyl-3-[[methyl(propan-2-yl)amino]-oxomethyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid IUPAC Name: 1-(2-chloro-3-nitrophenyl)-6-methyl-3-[methyl(propan-2-yl)carbamoyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid Traditional Name: 1-(2-chloro-3-nitro-phenyl)-3-[isopropyl(methyl)carbamoyl]-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylic acid Formula: C17H19ClN4O5S MolecularWeight: 426.87456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CN(C(=S)N1C2=C(C(=CC=C2)[N+](=O)[O-])Cl)C(=O)N(C)C(C)C)C(=O)O

Isomeric SMILES

CC1=C(CN(C(=S)N1C2=C(C(=CC=C2)[N+](=O)[O-])Cl)C(=O)N(C)C(C)C)C(=O)O

InChI

InChI=1S/C17H19ClN4O5S/c1-9(2)19(4)16(25)20-8-11(15(23)24)10(3)21(17(20)28)12-6-5-7-13(14(12)18)22(26)27/h5-7,9H,8H2,1-4H3,(H,23,24)