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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2-methoxyethyl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C15H17N5O5 MolecularWeight: 347.32598

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H17N5O5/c1-23-5-4-16-14-13(20(21)22)15(19-8-18-14)17-7-10-2-3-11-12(6-10)25-9-24-11/h2-3,6,8H,4-5,7,9H2,1H3,(H2,16,17,18,19)