N6-(4-ethylphenyl)-N4-quinolin-8-yl-pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-ethylphenyl)-N4-quinolin-8-yl-pyrimidine-4,5,6-triamine Openeye Name: N6-(4-ethylphenyl)-N4-(8-quinolyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-ethylphenyl)-N4-(8-quinolinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-ethylanilino)pyrimidin-4-yl]-(8-quinolyl)amine Formula: C21H20N6 MolecularWeight: 356.4237

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3N=CC=C4)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3N=CC=C4)N

InChI

InChI=1S/C21H20N6/c1-2-14-8-10-16(11-9-14)26-20-18(22)21(25-13-24-20)27-17-7-3-5-15-6-4-12-23-19(15)17/h3-13H,2,22H2,1H3,(H2,24,25,26,27)