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

Systemtic Name: N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC45CC6CC(C4)CC(C6)C5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC45CC6CC(C4)CC(C6)C5)C=C1

InChI

InChI=1S/C24H25N5O3/c1-14-5-6-18-3-2-4-19(20(18)27-14)32-23-21(29(30)31)22(25-13-26-23)28-24-10-15-7-16(11-24)9-17(8-15)12-24/h2-6,13,15-17H,7-12H2,1H3,(H,25,26,28)