N-cycloheptyl-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cycloheptyl-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine Openeye Name: N-cycloheptyl-6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: N-cycloheptyl-6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinamine IUPAC Name: N-cycloheptyl-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: cycloheptyl-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4CCCCCC4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4CCCCCC4)C=C1

InChI

InChI=1S/C21H23N5O3/c1-14-11-12-15-7-6-10-17(18(15)24-14)29-21-19(26(27)28)20(22-13-23-21)25-16-8-4-2-3-5-9-16/h6-7,10-13,16H,2-5,8-9H2,1H3,(H,22,23,25)