N6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-nitro-N4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine

Systemtic Name: N6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-nitro-N4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine Openeye Name: N6-(2,3-dihydrobenzofuran-5-ylmethyl)-5-nitro-N4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine CAS Name: N6-(2,3-dihydrobenzofuran-5-ylmethyl)-5-nitro-N4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-nitro-4-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine Traditional Name: coumaran-5-ylmethyl-[5-nitro-6-[(3,4,5-trimethoxybenzyl)amino]pyrimidin-4-yl]amine Formula: C23H25N5O6 MolecularWeight: 467.4745

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC4=C(C=C3)OCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C23H25N5O6/c1-31-18-9-15(10-19(32-2)21(18)33-3)12-25-23-20(28(29)30)22(26-13-27-23)24-11-14-4-5-17-16(8-14)6-7-34-17/h4-5,8-10,13H,6-7,11-12H2,1-3H3,(H2,24,25,26,27)