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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-6-(2-methylquinolin-8-yl)oxy-pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-6-[(2-methyl-8-quinolyl)oxy]pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-6-[(2-methyl-8-quinolinyl)oxy]pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine Traditional Name: [5-amino-6-[(2-methyl-8-quinolyl)oxy]pyrimidin-4-yl]-(1,3-benzodioxol-5-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(=C3N)NC4=CC5=C(C=C4)OCO5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3N)NC4=CC5=C(C=C4)OCO5)C=C1

InChI

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