3-[2-(3-chloranyl-5-methoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-4-ethoxy-benzenecarboximidamide

Systemtic Name: 3-[2-(3-chloranyl-5-methoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-4-ethoxy-benzenecarboximidamide Openeye Name: 3-[9-benzyl-2-(3-chloro-5-methoxy-phenoxy)-8-methyl-purin-6-yl]oxy-4-ethoxy-benzamidine CAS Name: 3-[[2-(3-chloro-5-methoxyphenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-4-ethoxybenzenecarboximidamide IUPAC Name: 3-[9-benzyl-2-(3-chloro-5-methoxyphenoxy)-8-methylpurin-6-yl]oxy-4-ethoxybenzenecarboximidamide Traditional Name: 3-[9-benzyl-2-(3-chloro-5-methoxy-phenoxy)-8-methyl-purin-6-yl]oxy-4-ethoxy-benzamidine Formula: C29H27ClN6O4 MolecularWeight: 559.01548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=N)N)OC2=NC(=NC3=C2N=C(N3CC4=CC=CC=C4)C)OC5=CC(=CC(=C5)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=N)N)OC2=NC(=NC3=C2N=C(N3CC4=CC=CC=C4)C)OC5=CC(=CC(=C5)Cl)OC

InChI

InChI=1S/C29H27ClN6O4/c1-4-38-23-11-10-19(26(31)32)12-24(23)40-28-25-27(36(17(2)33-25)16-18-8-6-5-7-9-18)34-29(35-28)39-22-14-20(30)13-21(15-22)37-3/h5-15H,4,16H2,1-3H3,(H3,31,32)