N4-[1-(phenylmethyl)piperidin-4-yl]-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-[1-(phenylmethyl)piperidin-4-yl]-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(1-benzyl-4-piperidyl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine CAS Name: N4-[1-(phenylmethyl)-4-piperidinyl]-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(1-benzylpiperidin-4-yl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Traditional Name: (1-benzyl-4-piperidyl)-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amine Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)NC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O3/c1-31-21-15-20(16-22(32-2)24(21)33-3)28-25-26-12-9-23(29-25)27-19-10-13-30(14-11-19)17-18-7-5-4-6-8-18/h4-9,12,15-16,19H,10-11,13-14,17H2,1-3H3,(H2,26,27,28,29)