4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-naphthalen-2-yloxy-pyrimidin-5-amine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-naphthalen-2-yloxy-pyrimidin-5-amine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-naphthyloxy)pyrimidin-5-amine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-(2-naphthalenyloxy)-5-pyrimidinamine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-naphthalen-2-yloxypyrimidin-5-amine Traditional Name: [4-(2-naphthoxy)-6-(4-piperonylpiperazino)pyrimidin-5-yl]amine Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CC6=CC=CC=C6C=C5)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CC6=CC=CC=C6C=C5)N

InChI

InChI=1S/C26H25N5O3/c27-24-25(28-16-29-26(24)34-21-7-6-19-3-1-2-4-20(19)14-21)31-11-9-30(10-12-31)15-18-5-8-22-23(13-18)33-17-32-22/h1-8,13-14,16H,9-12,15,17,27H2