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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2-methoxy-1-methyl-ethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-methoxy-1-methyl-ethyl)-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C16H19N5O5 MolecularWeight: 361.35256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O5/c1-10(7-24-2)20-16-14(21(22)23)15(18-8-19-16)17-6-11-3-4-12-13(5-11)26-9-25-12/h3-5,8,10H,6-7,9H2,1-2H3,(H2,17,18,19,20)