N6-(4-butylphenyl)-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butylphenyl)-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-benzyl-N6-(4-butylphenyl)-N4-methyl-pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-benzyl-6-N-(4-butylphenyl)-4-N-methylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-benzyl-methyl-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)N(C)CC3=CC=CC=C3)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)N

InChI

InChI=1S/C22H27N5/c1-3-4-8-17-11-13-19(14-12-17)26-21-20(23)22(25-16-24-21)27(2)15-18-9-6-5-7-10-18/h5-7,9-14,16H,3-4,8,15,23H2,1-2H3,(H,24,25,26)