N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(1-cyclohexenyl)ethyl]-6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C22H23N5O3 MolecularWeight: 405.44972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NCCC4=CCCCC4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NCCC4=CCCCC4)C=C1

InChI

InChI=1S/C22H23N5O3/c1-15-10-11-17-8-5-9-18(19(17)26-15)30-22-20(27(28)29)21(24-14-25-22)23-13-12-16-6-3-2-4-7-16/h5-6,8-11,14H,2-4,7,12-13H2,1H3,(H,23,24,25)