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

Systemtic Name: N6-(4-butoxyphenyl)-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-benzyl-N6-(4-butoxyphenyl)-N4-methyl-pyrimidine-4,5,6-triamine CAS Name: N6-(4-butoxyphenyl)-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-benzyl-6-N-(4-butoxyphenyl)-4-N-methylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butoxyanilino)pyrimidin-4-yl]-benzyl-methyl-amine Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)N

InChI

InChI=1S/C22H27N5O/c1-3-4-14-28-19-12-10-18(11-13-19)26-21-20(23)22(25-16-24-21)27(2)15-17-8-6-5-7-9-17/h5-13,16H,3-4,14-15,23H2,1-2H3,(H,24,25,26)