N4-(4,5-dimethyl-1,3-thiazol-2-yl)-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4,5-dimethyl-1,3-thiazol-2-yl)-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4,5-dimethylthiazol-2-yl)-N6-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4,5-dimethyl-2-thiazolyl)-N6-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4,5-dimethylthiazol-2-yl)-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H17N7O2S MolecularWeight: 407.44898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NC4=NC(=C(S4)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NC4=NC(=C(S4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H17N7O2S/c1-10-7-8-13-14(22-10)5-4-6-15(13)24-17-16(26(27)28)18(21-9-20-17)25-19-23-11(2)12(3)29-19/h4-9H,1-3H3,(H2,20,21,23,24,25)