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

Systemtic Name: 3-[2-(5-carbamimidoyl-2-methyl-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[9-benzyl-2-(5-carbamimidoyl-2-methyl-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(5-carbamimidoyl-2-methylphenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[9-benzyl-2-(5-carbamimidoyl-2-methylphenoxy)-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[2-(5-amidino-2-methyl-phenoxy)-9-benzyl-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C30H29N7O3 MolecularWeight: 535.59636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C30H29N7O3/c1-18-13-14-21(26(31)32)16-24(18)40-30-34-27-25(33-19(2)37(27)17-20-9-6-5-7-10-20)28(35-30)39-23-12-8-11-22(15-23)29(38)36(3)4/h5-16H,17H2,1-4H3,(H3,31,32)