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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-quinolin-5-yl-pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-quinolyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-quinolinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(5-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=C4C=CC=N5)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=CC5=C4C=CC=N5)N

InChI

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