N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-6-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amine Formula: C21H15N7O2S MolecularWeight: 429.4545

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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=C4N=CC=C5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=C4N=CC=C5

InChI

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