6-methyl-N-(5-nitro-6-pyridin-3-yloxy-pyrimidin-4-yl)-1,3-benzothiazol-2-amine

Systemtic Name: 6-methyl-N-(5-nitro-6-pyridin-3-yloxy-pyrimidin-4-yl)-1,3-benzothiazol-2-amine Openeye Name: 6-methyl-N-[5-nitro-6-(3-pyridyloxy)pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: 6-methyl-N-[5-nitro-6-(3-pyridinyloxy)-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 6-methyl-N-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-1,3-benzothiazol-2-amine Traditional Name: (6-methyl-1,3-benzothiazol-2-yl)-[5-nitro-6-(3-pyridyloxy)pyrimidin-4-yl]amine Formula: C17H12N6O3S MolecularWeight: 380.38058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)OC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)OC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O3S/c1-10-4-5-12-13(7-10)27-17(21-12)22-15-14(23(24)25)16(20-9-19-15)26-11-3-2-6-18-8-11/h2-9H,1H3,(H,19,20,21,22)