N4-(4-butylphenyl)-6-(4-chloranyl-3-methyl-phenoxy)pyrimidine-4,5-diamine

Systemtic Name: N4-(4-butylphenyl)-6-(4-chloranyl-3-methyl-phenoxy)pyrimidine-4,5-diamine Openeye Name: N4-(4-butylphenyl)-6-(4-chloro-3-methyl-phenoxy)pyrimidine-4,5-diamine CAS Name: N4-(4-butylphenyl)-6-(4-chloro-3-methylphenoxy)pyrimidine-4,5-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-(4-chloro-3-methylphenoxy)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-chloro-3-methyl-phenoxy)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=C(C=C3)Cl)C)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=C(C=C3)Cl)C)N

InChI

InChI=1S/C21H23ClN4O/c1-3-4-5-15-6-8-16(9-7-15)26-20-19(23)21(25-13-24-20)27-17-10-11-18(22)14(2)12-17/h6-13H,3-5,23H2,1-2H3,(H,24,25,26)