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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4,N4-bis(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4,N4-bis(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4,N4-bis(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N,4-N-bis(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: bis(2-methoxyethyl)-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C18H23N5O6 MolecularWeight: 405.40512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O6/c1-26-7-5-22(6-8-27-2)18-16(23(24)25)17(20-11-21-18)19-10-13-3-4-14-15(9-13)29-12-28-14/h3-4,9,11H,5-8,10,12H2,1-2H3,(H,19,20,21)