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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=NC=NC(=C3N)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=NC=NC(=C3N)NC4=CC5=C(C=C4)OCO5

InChI

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