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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-tert-butyl-pyrimidine-4,5-diamine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-tert-butyl-pyrimidine-4,5-diamine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N4-tert-butylpyrimidine-4,5-diamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-N-tert-butylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-piperonylpiperazino)pyrimidin-4-yl]-tert-butyl-amine Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1N)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1N)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H28N6O2/c1-20(2,3)24-18-17(21)19(23-12-22-18)26-8-6-25(7-9-26)11-14-4-5-15-16(10-14)28-13-27-15/h4-5,10,12H,6-9,11,13,21H2,1-3H3,(H,22,23,24)