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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-piperonylpiperazino)pyrimidin-4-yl]-(1,3-benzodioxol-5-yl)amine Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=CC6=C(C=C5)OCO6)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=CC6=C(C=C5)OCO6)N

InChI

InChI=1S/C23H24N6O4/c24-21-22(27-16-2-4-18-20(10-16)33-14-31-18)25-12-26-23(21)29-7-5-28(6-8-29)11-15-1-3-17-19(9-15)32-13-30-17/h1-4,9-10,12H,5-8,11,13-14,24H2,(H,25,26,27)