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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[4-(4-fluorophenyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(4-fluorophenyl)piperazino]pyrimidin-4-yl]-piperonyl-amine Formula: C22H23FN6O2 MolecularWeight: 422.455423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C22H23FN6O2/c23-16-2-4-17(5-3-16)28-7-9-29(10-8-28)22-20(24)21(26-13-27-22)25-12-15-1-6-18-19(11-15)31-14-30-18/h1-6,11,13H,7-10,12,14,24H2,(H,25,26,27)