4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,5-dimethylphenoxy)pyrimidin-5-amine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,5-dimethylphenoxy)pyrimidin-5-amine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,5-dimethylphenoxy)pyrimidin-5-amine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-(3,5-dimethylphenoxy)-5-pyrimidinamine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,5-dimethylphenoxy)pyrimidin-5-amine Traditional Name: [4-(3,5-dimethylphenoxy)-6-(4-piperonylpiperazino)pyrimidin-5-yl]amine Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H27N5O3/c1-16-9-17(2)11-19(10-16)32-24-22(25)23(26-14-27-24)29-7-5-28(6-8-29)13-18-3-4-20-21(12-18)31-15-30-20/h3-4,9-12,14H,5-8,13,15,25H2,1-2H3