N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-benzyl-N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-methyl-pyrimidine-4,5,6-triamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-benzyl-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-methylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(homoveratrylamino)pyrimidin-4-yl]-benzyl-methyl-amine Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27N5O2/c1-27(14-17-7-5-4-6-8-17)22-20(23)21(25-15-26-22)24-12-11-16-9-10-18(28-2)19(13-16)29-3/h4-10,13,15H,11-12,14,23H2,1-3H3,(H,24,25,26)