3-[2-(2-azanyl-5-carbamimidoyl-phenoxy)-8,9-diethyl-purin-6-yl]oxy-N,N-dimethyl-benzamide

Systemtic Name: 3-[2-(2-azanyl-5-carbamimidoyl-phenoxy)-8,9-diethyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[2-(2-amino-5-carbamimidoyl-phenoxy)-8,9-diethyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(2-amino-5-carbamimidoylphenoxy)-8,9-diethyl-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[2-(2-amino-5-carbamimidoylphenoxy)-8,9-diethylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[2-(5-amidino-2-amino-phenoxy)-8,9-diethyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C25H28N8O3 MolecularWeight: 488.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC)N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)N

Isomeric SMILES

CCC1=NC2=C(N1CC)N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)N

InChI

InChI=1S/C25H28N8O3/c1-5-19-29-20-22(33(19)6-2)30-25(36-18-13-14(21(27)28)10-11-17(18)26)31-23(20)35-16-9-7-8-15(12-16)24(34)32(3)4/h7-13H,5-6,26H2,1-4H3,(H3,27,28)