N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(2,2,6,6-tetramethyl-4-piperidyl)pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(2,2,6,6-tetramethyl-4-piperidinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(piperonylamino)pyrimidin-4-yl]-(2,2,6,6-tetramethyl-4-piperidyl)amine Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(N1)(C)C)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(CC(N1)(C)C)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])C

InChI

InChI=1S/C21H28N6O4/c1-20(2)8-14(9-21(3,4)26-20)25-19-17(27(28)29)18(23-11-24-19)22-10-13-5-6-15-16(7-13)31-12-30-15/h5-7,11,14,26H,8-10,12H2,1-4H3,(H2,22,23,24,25)