N-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine

Systemtic Name: N-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)-1,3-benzothiazol-2-amine CAS Name: N-[6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amine Formula: C19H14N6O2S MolecularWeight: 390.41846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O2S/c26-25(27)16-17(23-19-22-13-6-2-4-8-15(13)28-19)20-11-21-18(16)24-10-9-12-5-1-3-7-14(12)24/h1-8,11H,9-10H2,(H,20,21,22,23)