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

Systemtic Name: N4-(4-butylphenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4,5-diamine Openeye Name: N4-(4-butylphenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4,5-diamine CAS Name: N4-(4-butylphenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4,5-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C23H27N5 MolecularWeight: 373.49398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H27N5/c1-2-3-6-17-9-11-20(12-10-17)27-22-21(24)23(26-16-25-22)28-14-13-18-7-4-5-8-19(18)15-28/h4-5,7-12,16H,2-3,6,13-15,24H2,1H3,(H,25,26,27)