5-[4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-yldiazenyl)phenyl]-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-yldiazenyl)phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylazo)phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylazo)phenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-yldiazenyl)phenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylazo)phenyl]-6-ethyl-pyrimidin-4-yl]amine Formula: C21H22ClN7 MolecularWeight: 407.89928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H22ClN7/c1-2-17-19(20(23)26-21(24)25-17)14-7-8-16(22)18(11-14)27-28-29-10-9-13-5-3-4-6-15(13)12-29/h3-8,11H,2,9-10,12H2,1H3,(H4,23,24,25,26)