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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCC4=CC=CC=C4C3

InChI

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