N4-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-nitro-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-nitro-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-nitro-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine CAS Name: N4-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-nitro-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-nitro-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-5-yl-[5-nitro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amine Formula: C21H21N5O7 MolecularWeight: 455.42074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)NC3=C4C(=CC=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)NC3=C4C(=CC=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O7/c1-29-16-9-12(10-17(30-2)19(16)31-3)23-21-22-11-14(26(27)28)20(25-21)24-13-5-4-6-15-18(13)33-8-7-32-15/h4-6,9-11H,7-8H2,1-3H3,(H2,22,23,24,25)