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

Systemtic Name: N-(3-methylbutyl)-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine Openeye Name: N-isopentyl-6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: N-(3-methylbutyl)-6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-methylbutyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: isoamyl-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3/c1-12(2)9-10-20-18-17(24(25)26)19(22-11-21-18)27-15-6-4-5-14-8-7-13(3)23-16(14)15/h4-8,11-12H,9-10H2,1-3H3,(H,20,21,22)