N6-(4-butylphenyl)-N4-(3-chloranyl-2-methyl-phenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butylphenyl)-N4-(3-chloranyl-2-methyl-phenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-(3-chloro-2-methyl-phenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(3-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(3-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(3-chloro-2-methyl-phenyl)amine Formula: C21H24ClN5 MolecularWeight: 381.90176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C(=CC=C3)Cl)C)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C(=CC=C3)Cl)C)N

InChI

InChI=1S/C21H24ClN5/c1-3-4-6-15-9-11-16(12-10-15)26-20-19(23)21(25-13-24-20)27-18-8-5-7-17(22)14(18)2/h5,7-13H,3-4,6,23H2,1-2H3,(H2,24,25,26,27)