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

Systemtic Name: N6-(4-butylphenyl)-N4-(5-chloranyl-2,4-dimethoxy-phenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-(5-chloro-2,4-dimethoxy-phenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(5-chloro-2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(5-chloro-2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(5-chloro-2,4-dimethoxy-phenyl)amine Formula: C22H26ClN5O2 MolecularWeight: 427.92714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)N

InChI

InChI=1S/C22H26ClN5O2/c1-4-5-6-14-7-9-15(10-8-14)27-21-20(24)22(26-13-25-21)28-17-11-16(23)18(29-2)12-19(17)30-3/h7-13H,4-6,24H2,1-3H3,(H2,25,26,27,28)