N-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine

Systemtic Name: N-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine Openeye Name: N-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine CAS Name: N-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-2-methyl-8-quinolinamine IUPAC Name: N-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-2-methylquinolin-8-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(2-methyl-8-quinolyl)amine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCCCCC4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCCCCC4)C=C1

InChI

InChI=1S/C20H22N6O2/c1-14-9-10-15-7-6-8-16(17(15)23-14)24-19-18(26(27)28)20(22-13-21-19)25-11-4-2-3-5-12-25/h6-10,13H,2-5,11-12H2,1H3,(H,21,22,24)