N4-(4-butylphenyl)-N6-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine

Systemtic Name: N4-(4-butylphenyl)-N6-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine Openeye Name: N4-(4-butylphenyl)-N6-(p-tolylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(4-butylphenyl)-N6-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(4-butylphenyl)-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(4-methylbenzyl)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)NCC3=CC=C(C=C3)C)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)C)N

InChI

InChI=1S/C22H27N5/c1-3-4-5-17-10-12-19(13-11-17)27-22-20(23)21(25-15-26-22)24-14-18-8-6-16(2)7-9-18/h6-13,15H,3-5,14,23H2,1-2H3,(H2,24,25,26,27)