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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[5-nitro-6-(p-phenetidino)pyrimidin-4-yl]amine Formula: C19H17N5O5 MolecularWeight: 395.36878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5/c1-2-27-14-6-3-12(4-7-14)22-18-17(24(25)26)19(21-10-20-18)23-13-5-8-15-16(9-13)29-11-28-15/h3-10H,2,11H2,1H3,(H2,20,21,22,23)