5-[4-chloranyl-3-[[methyl-(phenylmethyl)amino]diazenyl]phenyl]-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[4-chloranyl-3-[[methyl-(phenylmethyl)amino]diazenyl]phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[3-[benzyl(methyl)amino]azo-4-chloro-phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[4-chloro-3-[methyl-(phenylmethyl)amino]azophenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[3-[[benzyl(methyl)amino]diazenyl]-4-chlorophenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: benzyl-[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]azo-methyl-amine Formula: C20H22ClN7 MolecularWeight: 395.88858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN(C)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN(C)CC3=CC=CC=C3

InChI

InChI=1S/C20H22ClN7/c1-3-16-18(19(22)25-20(23)24-16)14-9-10-15(21)17(11-14)26-27-28(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H4,22,23,24,25)