N6-(4-butoxyphenyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butoxyphenyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butoxyphenyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butoxyphenyl)-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C22H23N5O5 MolecularWeight: 437.44852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5/c1-2-3-10-30-17-7-4-15(5-8-17)25-21-20(27(28)29)22(24-14-23-21)26-16-6-9-18-19(13-16)32-12-11-31-18/h4-9,13-14H,2-3,10-12H2,1H3,(H2,23,24,25,26)