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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2-methyl-8-quinolyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2-methyl-8-quinolinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(2-methyl-8-quinolyl)amino]pyrimidin-4-yl]-piperonyl-amine Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N)C=C1

InChI

InChI=1S/C22H20N6O2/c1-13-5-7-15-3-2-4-16(20(15)27-13)28-22-19(23)21(25-11-26-22)24-10-14-6-8-17-18(9-14)30-12-29-17/h2-9,11H,10,12,23H2,1H3,(H2,24,25,26,28)