5-[4-chloranyl-3-[(ditert-butylamino)diazenyl]phenyl]-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[4-chloranyl-3-[(ditert-butylamino)diazenyl]phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-chloro-3-(ditert-butylamino)azo-phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[4-chloro-3-(ditert-butylamino)azophenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[4-chloro-3-[(ditert-butylamino)diazenyl]phenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: ditert-butyl-[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]azo-amine Formula: C20H30ClN7 MolecularWeight: 403.9521

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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(C)(C)C)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H30ClN7/c1-8-14-16(17(22)25-18(23)24-14)12-9-10-13(21)15(11-12)26-27-28(19(2,3)4)20(5,6)7/h9-11H,8H2,1-7H3,(H4,22,23,24,25)