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

Systemtic Name: N6-(4-butylphenyl)-N4-(5-chloranyl-2-methoxy-phenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-(5-chloro-2-methoxy-phenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(5-chloro-2-methoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(5-chloro-2-methoxy-phenyl)amine Formula: C21H24ClN5O MolecularWeight: 397.90116

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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)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O/c1-3-4-5-14-6-9-16(10-7-14)26-20-19(23)21(25-13-24-20)27-17-12-15(22)8-11-18(17)28-2/h6-13H,3-5,23H2,1-2H3,(H2,24,25,26,27)