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

Systemtic Name: N6-(4-butylphenyl)-N4-(2-methylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-(o-tolyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(2-methylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(o-tolyl)amine Formula: C21H25N5 MolecularWeight: 347.4567

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C)N

InChI

InChI=1S/C21H25N5/c1-3-4-8-16-10-12-17(13-11-16)25-20-19(22)21(24-14-23-20)26-18-9-6-5-7-15(18)2/h5-7,9-14H,3-4,8,22H2,1-2H3,(H2,23,24,25,26)