3-[9-(1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl)-2-(5-carbamimidoyl-2-phenoxy-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide

Systemtic Name: 3-[9-(1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl)-2-(5-carbamimidoyl-2-phenoxy-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[2-(5-carbamimidoyl-2-phenoxy-phenoxy)-9-(1-carbamoyl-2-methyl-butyl)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[9-(1-amino-3-methyl-1-oxopentan-2-yl)-2-(5-carbamimidoyl-2-phenoxyphenoxy)-8-methyl-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[9-(1-amino-3-methyl-1-oxopentan-2-yl)-2-(5-carbamimidoyl-2-phenoxyphenoxy)-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[2-(5-amidino-2-phenoxy-phenoxy)-9-(1-carbamoyl-2-methyl-butyl)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C34H36N8O5 MolecularWeight: 636.70024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N)N1C(=NC2=C1N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)OC5=CC=CC=C5)C

Isomeric SMILES

CCC(C)C(C(=O)N)N1C(=NC2=C1N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)OC5=CC=CC=C5)C

InChI

InChI=1S/C34H36N8O5/c1-6-19(2)28(30(37)43)42-20(3)38-27-31(42)39-34(40-32(27)46-24-14-10-11-22(17-24)33(44)41(4)5)47-26-18-21(29(35)36)15-16-25(26)45-23-12-8-7-9-13-23/h7-19,28H,6H2,1-5H3,(H3,35,36)(H2,37,43)