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

Systemtic Name: 5-[4-chloranyl-3-[[methyl(propyl)amino]diazenyl]phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-chloro-3-[methyl(propyl)amino]azo-phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[4-chloro-3-[methyl(propyl)amino]azophenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[4-chloro-3-[[methyl(propyl)amino]diazenyl]phenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: [2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]azo-methyl-propyl-amine Formula: C16H22ClN7 MolecularWeight: 347.84578

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)N=NC1=C(C=CC(=C1)C2=C(N=C(N=C2N)N)CC)Cl

Isomeric SMILES

CCCN(C)N=NC1=C(C=CC(=C1)C2=C(N=C(N=C2N)N)CC)Cl

InChI

InChI=1S/C16H22ClN7/c1-4-8-24(3)23-22-13-9-10(6-7-11(13)17)14-12(5-2)20-16(19)21-15(14)18/h6-7,9H,4-5,8H2,1-3H3,(H4,18,19,20,21)