5-[4-chloranyl-3-[(2-methylpiperazin-1-yl)diazenyl]phenyl]-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[4-chloranyl-3-[(2-methylpiperazin-1-yl)diazenyl]phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-chloro-3-(2-methylpiperazin-1-yl)azo-phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[4-chloro-3-[(2-methyl-1-piperazinyl)azo]phenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[4-chloro-3-[(2-methylpiperazin-1-yl)diazenyl]phenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-chloro-3-(2-methylpiperazino)azo-phenyl]-6-ethyl-pyrimidin-4-yl]amine Formula: C17H23ClN8 MolecularWeight: 374.87112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN3CCNCC3C

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN3CCNCC3C

InChI

InChI=1S/C17H23ClN8/c1-3-13-15(16(19)23-17(20)22-13)11-4-5-12(18)14(8-11)24-25-26-7-6-21-9-10(26)2/h4-5,8,10,21H,3,6-7,9H2,1-2H3,(H4,19,20,22,23)