N6-(4-butylphenyl)-N4-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butylphenyl)-N4-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(2,5-dimethylphenyl)amine Formula: C22H27N5 MolecularWeight: 361.48328

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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)C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5/c1-4-5-6-17-9-11-18(12-10-17)26-21-20(23)22(25-14-24-21)27-19-13-15(2)7-8-16(19)3/h7-14H,4-6,23H2,1-3H3,(H2,24,25,26,27)