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

Systemtic Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-N6-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-N6-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H17N7O2S MolecularWeight: 443.48108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=C4C=CC(=N5)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=C4C=CC(=N5)C

InChI

InChI=1S/C22H17N7O2S/c1-12-5-3-8-17-18(12)27-22(32-17)28-21-19(29(30)31)20(23-11-24-21)26-16-7-4-6-15-14(16)10-9-13(2)25-15/h3-11H,1-2H3,(H2,23,24,26,27,28)