N-(1,3-benzodioxol-5-ylmethyl)-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: [6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-piperonyl-amine Formula: C22H17N5O5 MolecularWeight: 431.40088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NCC4=CC5=C(C=C4)OCO5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NCC4=CC5=C(C=C4)OCO5)C=C1

InChI

InChI=1S/C22H17N5O5/c1-13-5-7-15-3-2-4-17(19(15)26-13)32-22-20(27(28)29)21(24-11-25-22)23-10-14-6-8-16-18(9-14)31-12-30-16/h2-9,11H,10,12H2,1H3,(H,23,24,25)