4-carbamimidoyl-2-[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-N,N-diethyl-benzamide

Systemtic Name: 4-carbamimidoyl-2-[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-N,N-diethyl-benzamide Openeye Name: 2-[9-benzyl-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-2-yl]oxy-4-carbamimidoyl-N,N-diethyl-benzamide CAS Name: 4-carbamimidoyl-2-[[6-[3-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-9-(phenylmethyl)-2-purinyl]oxy]-N,N-diethylbenzamide IUPAC Name: 2-[9-benzyl-6-[3-(dimethylcarbamoyl)phenoxy]-8-methylpurin-2-yl]oxy-4-carbamimidoyl-N,N-diethylbenzamide Traditional Name: 4-amidino-2-[9-benzyl-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-2-yl]oxy-N,N-diethyl-benzamide Formula: C34H36N8O4 MolecularWeight: 620.70084

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=C(C=C1)C(=N)N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)C(=O)N(C)C)N=C(N3CC5=CC=CC=C5)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=C(C=C1)C(=N)N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)C(=O)N(C)C)N=C(N3CC5=CC=CC=C5)C

InChI

InChI=1S/C34H36N8O4/c1-6-41(7-2)33(44)26-17-16-23(29(35)36)19-27(26)46-34-38-30-28(37-21(3)42(30)20-22-12-9-8-10-13-22)31(39-34)45-25-15-11-14-24(18-25)32(43)40(4)5/h8-19H,6-7,20H2,1-5H3,(H3,35,36)