6-(3,4-dihydro-1H-isoquinolin-2-yl)-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C21H23N5 MolecularWeight: 345.44082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C21H23N5/c1-14-9-15(2)11-18(10-14)25-20-19(22)21(24-13-23-20)26-8-7-16-5-3-4-6-17(16)12-26/h3-6,9-11,13H,7-8,12,22H2,1-2H3,(H,23,24,25)