N6-(1,3-benzodioxol-5-yl)-N4-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-methyl-8-quinolyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-methyl-8-quinolinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(2-methyl-8-quinolyl)amine Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3N)NC4=CC5=C(C=C4)OCO5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3N)NC4=CC5=C(C=C4)OCO5)C=C1

InChI

InChI=1S/C21H18N6O2/c1-12-5-6-13-3-2-4-15(19(13)25-12)27-21-18(22)20(23-10-24-21)26-14-7-8-16-17(9-14)29-11-28-16/h2-10H,11,22H2,1H3,(H2,23,24,26,27)