6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-pyridin-4-yl-pyrimidine-4,5-diamine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-pyridin-4-yl-pyrimidine-4,5-diamine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(4-pyridyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N4-pyridin-4-ylpyrimidine-4,5-diamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-N-pyridin-4-ylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-piperonylpiperazino)pyrimidin-4-yl]-(4-pyridyl)amine Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=CC=NC=C5)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=CC=NC=C5)N

InChI

InChI=1S/C21H23N7O2/c22-19-20(26-16-3-5-23-6-4-16)24-13-25-21(19)28-9-7-27(8-10-28)12-15-1-2-17-18(11-15)30-14-29-17/h1-6,11,13H,7-10,12,14,22H2,(H,23,24,25,26)