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

Systemtic Name: 3-[9-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-2-(5-carbamimidoyl-2-chloranyl-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[9-(2-amino-1-benzyl-2-oxo-ethyl)-2-(5-carbamimidoyl-2-chloro-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[9-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-(5-carbamimidoyl-2-chlorophenoxy)-8-methyl-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[9-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-(5-carbamimidoyl-2-chlorophenoxy)-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[2-(5-amidino-2-chloro-phenoxy)-9-(2-amino-1-benzyl-2-keto-ethyl)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C31H29ClN8O4 MolecularWeight: 613.06616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C(CC3=CC=CC=C3)C(=O)N)N=C(N=C2OC4=CC=CC(=C4)C(=O)N(C)C)OC5=C(C=CC(=C5)C(=N)N)Cl

Isomeric SMILES

CC1=NC2=C(N1C(CC3=CC=CC=C3)C(=O)N)N=C(N=C2OC4=CC=CC(=C4)C(=O)N(C)C)OC5=C(C=CC(=C5)C(=N)N)Cl

InChI

InChI=1S/C31H29ClN8O4/c1-17-36-25-28(40(17)23(27(35)41)14-18-8-5-4-6-9-18)37-31(44-24-16-19(26(33)34)12-13-22(24)32)38-29(25)43-21-11-7-10-20(15-21)30(42)39(2)3/h4-13,15-16,23H,14H2,1-3H3,(H3,33,34)(H2,35,41)