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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-5-nitro-6-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amine Formula: C20H13N7O2S MolecularWeight: 415.42792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C20H13N7O2S/c28-27(29)17-18(24-14-8-3-5-12-6-4-10-21-16(12)14)22-11-23-19(17)26-20-25-13-7-1-2-9-15(13)30-20/h1-11H,(H2,22,23,24,25,26)