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

Systemtic Name: N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: (6-methyl-1,3-benzothiazol-2-yl)-[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amine Formula: C21H15N7O2S MolecularWeight: 429.4545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=C4C=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=C4C=CC=N5

InChI

InChI=1S/C21H15N7O2S/c1-12-7-8-16-17(10-12)31-21(26-16)27-20-18(28(29)30)19(23-11-24-20)25-15-6-2-5-14-13(15)4-3-9-22-14/h2-11H,1H3,(H2,23,24,25,26,27)