2-[6-(3-azanylphenoxy)-8,9-diethyl-purin-2-yl]oxy-4-carbamimidoyl-N,N-diethyl-benzamide

Systemtic Name: 2-[6-(3-azanylphenoxy)-8,9-diethyl-purin-2-yl]oxy-4-carbamimidoyl-N,N-diethyl-benzamide Openeye Name: 2-[6-(3-aminophenoxy)-8,9-diethyl-purin-2-yl]oxy-4-carbamimidoyl-N,N-diethyl-benzamide CAS Name: 2-[[6-(3-aminophenoxy)-8,9-diethyl-2-purinyl]oxy]-4-carbamimidoyl-N,N-diethylbenzamide IUPAC Name: 2-[6-(3-aminophenoxy)-8,9-diethylpurin-2-yl]oxy-4-carbamimidoyl-N,N-diethylbenzamide Traditional Name: 4-amidino-2-[6-(3-aminophenoxy)-8,9-diethyl-purin-2-yl]oxy-N,N-diethyl-benzamide Formula: C27H32N8O3 MolecularWeight: 516.59478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N8O3/c1-5-21-31-22-24(35(21)8-4)32-27(33-25(22)37-18-11-9-10-17(28)15-18)38-20-14-16(23(29)30)12-13-19(20)26(36)34(6-2)7-3/h9-15H,5-8,28H2,1-4H3,(H3,29,30)