4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-ethyl-7H-purin-2-yl]oxy]-N,N-diethyl-benzamide

Systemtic Name: 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-ethyl-7H-purin-2-yl]oxy]-N,N-diethyl-benzamide Openeye Name: 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-ethyl-7H-purin-2-yl]oxy]-N,N-diethyl-benzamide CAS Name: 4-carbamimidoyl-2-[[6-[3-[dimethylamino(oxo)methyl]phenoxy]-8-ethyl-7H-purin-2-yl]oxy]-N,N-diethylbenzamide IUPAC Name: 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-ethyl-7H-purin-2-yl]oxy]-N,N-diethylbenzamide Traditional Name: 4-amidino-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-ethyl-7H-purin-2-yl]oxy]-N,N-diethyl-benzamide Formula: C28H32N8O4 MolecularWeight: 544.60488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=NC(=N2)OC3=C(C=CC(=C3)C(=N)N)C(=O)N(CC)CC)OC4=CC=CC(=C4)C(=O)N(C)C

Isomeric SMILES

CCC1=NC2=C(N1)C(=NC(=N2)OC3=C(C=CC(=C3)C(=N)N)C(=O)N(CC)CC)OC4=CC=CC(=C4)C(=O)N(C)C

InChI

InChI=1S/C28H32N8O4/c1-6-21-31-22-24(32-21)33-28(34-25(22)39-18-11-9-10-17(14-18)26(37)35(4)5)40-20-15-16(23(29)30)12-13-19(20)27(38)36(7-2)8-3/h9-15H,6-8H2,1-5H3,(H3,29,30)(H,31,32,33,34)