N4-(4,5-dimethyl-1,3-thiazol-2-yl)-N6-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4,5-dimethyl-1,3-thiazol-2-yl)-N6-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4,5-dimethylthiazol-2-yl)-N6-(2-methyl-8-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4,5-dimethyl-2-thiazolyl)-N6-(2-methyl-8-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4,5-dimethylthiazol-2-yl)-[6-[(2-methyl-8-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=CC=C2NC3=C(C(=NC=N3)NC4=NC(=C(S4)C)C)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NC4=NC(=C(S4)C)C)[N+](=O)[O-])C=C1

InChI

InChI=1S/C19H17N7O2S/c1-10-7-8-13-5-4-6-14(15(13)22-10)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)