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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[5-nitro-6-(5-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=C4C=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=C4C=CC=N5

InChI

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