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

Systemtic Name: 5-[4-chloranyl-3-(pyrrolidin-1-yldiazenyl)phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-(4-chloro-3-pyrrolidin-1-ylazo-phenyl)-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[4-chloro-3-(1-pyrrolidinylazo)phenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[4-chloro-3-(pyrrolidin-1-yldiazenyl)phenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-(4-chloro-3-pyrrolidinoazo-phenyl)-6-ethyl-pyrimidin-4-yl]amine Formula: C16H20ClN7 MolecularWeight: 345.8299

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN3CCCC3

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN3CCCC3

InChI

InChI=1S/C16H20ClN7/c1-2-12-14(15(18)21-16(19)20-12)10-5-6-11(17)13(9-10)22-23-24-7-3-4-8-24/h5-6,9H,2-4,7-8H2,1H3,(H4,18,19,20,21)