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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(o-phenetidino)pyrimidin-4-yl]-piperonyl-amine Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5/c1-2-28-15-6-4-3-5-14(15)24-20-18(25(26)27)19(22-11-23-20)21-10-13-7-8-16-17(9-13)30-12-29-16/h3-9,11H,2,10,12H2,1H3,(H2,21,22,23,24)