N4-(1,3-benzodioxol-5-ylmethyl)-6-(2-methylquinolin-8-yl)oxy-pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(2-methylquinolin-8-yl)oxy-pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[(2-methyl-8-quinolyl)oxy]pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[(2-methyl-8-quinolinyl)oxy]pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine Traditional Name: [5-amino-6-[(2-methyl-8-quinolyl)oxy]pyrimidin-4-yl]-piperonyl-amine Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3N)NCC4=CC5=C(C=C4)OCO5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3N)NCC4=CC5=C(C=C4)OCO5)C=C1

InChI

InChI=1S/C22H19N5O3/c1-13-5-7-15-3-2-4-17(20(15)27-13)30-22-19(23)21(25-11-26-22)24-10-14-6-8-16-18(9-14)29-12-28-16/h2-9,11H,10,12,23H2,1H3,(H,24,25,26)