N4-(1,3-benzodioxol-5-ylmethyl)-6-quinolin-8-yloxy-pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-quinolin-8-yloxy-pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(8-quinolyloxy)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(8-quinolinyloxy)pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine Traditional Name: [5-amino-6-(8-quinolyloxy)pyrimidin-4-yl]-piperonyl-amine Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)OC4=CC=CC5=C4N=CC=C5)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)OC4=CC=CC5=C4N=CC=C5)N

InChI

InChI=1S/C21H17N5O3/c22-18-20(24-10-13-6-7-15-17(9-13)28-12-27-15)25-11-26-21(18)29-16-5-1-3-14-4-2-8-23-19(14)16/h1-9,11H,10,12,22H2,(H,24,25,26)