N6-(1,3-benzodioxol-5-yl)-N4-quinolin-8-yl-pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-quinolin-8-yl-pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(8-quinolyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(8-quinolinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(8-quinolyl)amine Formula: C20H16N6O2 MolecularWeight: 372.38004

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=CC5=C4N=CC=C5)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=CC5=C4N=CC=C5)N

InChI

InChI=1S/C20H16N6O2/c21-17-19(25-13-6-7-15-16(9-13)28-11-27-15)23-10-24-20(17)26-14-5-1-3-12-4-2-8-22-18(12)14/h1-10H,11,21H2,(H2,23,24,25,26)