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

Systemtic Name: N4-(2-methylquinolin-5-yl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(2-methyl-5-quinolyl)-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(2-methyl-5-quinolinyl)-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(2-methylquinolin-5-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(2-methyl-5-quinolyl)amino]pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C20H19N7 MolecularWeight: 357.41176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NCC4=CN=CC=C4)N

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NCC4=CN=CC=C4)N

InChI

InChI=1S/C20H19N7/c1-13-7-8-15-16(26-13)5-2-6-17(15)27-20-18(21)19(24-12-25-20)23-11-14-4-3-9-22-10-14/h2-10,12H,11,21H2,1H3,(H2,23,24,25,27)