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

Systemtic Name: 6-(2-methylquinolin-8-yl)oxy-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: 6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NCC4=CC=CC=C4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NCC4=CC=CC=C4)C=C1

InChI

InChI=1S/C21H17N5O3/c1-14-10-11-16-8-5-9-17(18(16)25-14)29-21-19(26(27)28)20(23-13-24-21)22-12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,22,23,24)