6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N4-(2-oxolanylmethyl)pyrimidine-4,5-diamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-piperonylpiperazino)pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H28N6O3/c22-19-20(23-11-16-2-1-9-28-16)24-13-25-21(19)27-7-5-26(6-8-27)12-15-3-4-17-18(10-15)30-14-29-17/h3-4,10,13,16H,1-2,5-9,11-12,14,22H2,(H,23,24,25)