N6-(1,3-benzodioxol-5-ylmethyl)-N4-tert-butyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-tert-butyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-tert-butyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-tert-butyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-tert-butyl-5-nitropyrimidine-4,6-diamine Traditional Name: tert-butyl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19N5O4/c1-16(2,3)20-15-13(21(22)23)14(18-8-19-15)17-7-10-4-5-11-12(6-10)25-9-24-11/h4-6,8H,7,9H2,1-3H3,(H2,17,18,19,20)