N-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]quinolin-5-amine

Systemtic Name: N-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]quinolin-5-amine Openeye Name: N-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]quinolin-5-amine CAS Name: N-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-5-quinolinamine IUPAC Name: N-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]quinolin-5-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(5-quinolyl)amine Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O2/c26-25(27)17-18(21-13-22-19(17)24-11-3-1-2-4-12-24)23-16-9-5-8-15-14(16)7-6-10-20-15/h5-10,13H,1-4,11-12H2,(H,21,22,23)