6-[4-(4-methoxyphenyl)piperazin-1-yl]-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5-diamine

Systemtic Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5-diamine Openeye Name: N4-benzyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N4-methyl-pyrimidine-4,5-diamine CAS Name: 6-[4-(4-methoxyphenyl)-1-piperazinyl]-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5-diamine IUPAC Name: 4-N-benzyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-4-N-methylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-4-yl]-benzyl-methyl-amine Formula: C23H28N6O MolecularWeight: 404.50802

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H28N6O/c1-27(16-18-6-4-3-5-7-18)22-21(24)23(26-17-25-22)29-14-12-28(13-15-29)19-8-10-20(30-2)11-9-19/h3-11,17H,12-16,24H2,1-2H3