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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amine Formula: C16H11N7O2S MolecularWeight: 365.36924

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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=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CN=CC=C4

InChI

InChI=1S/C16H11N7O2S/c24-23(25)13-14(20-10-4-3-7-17-8-10)18-9-19-15(13)22-16-21-11-5-1-2-6-12(11)26-16/h1-9H,(H2,18,19,20,21,22)