N-(3-imidazol-1-ylpropyl)-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: N-[3-(1-imidazolyl)propyl]-6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: 3-imidazol-1-ylpropyl-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C20H19N7O3 MolecularWeight: 405.40996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NCCCN4C=CN=C4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NCCCN4C=CN=C4)C=C1

InChI

InChI=1S/C20H19N7O3/c1-14-6-7-15-4-2-5-16(17(15)25-14)30-20-18(27(28)29)19(23-12-24-20)22-8-3-10-26-11-9-21-13-26/h2,4-7,9,11-13H,3,8,10H2,1H3,(H,22,23,24)