ethyl 4-[6-(5-carbamimidoyl-2-methyl-phenoxy)-8-methyl-9-(phenylmethyl)purin-2-yl]oxybenzoate

Systemtic Name: ethyl 4-[6-(5-carbamimidoyl-2-methyl-phenoxy)-8-methyl-9-(phenylmethyl)purin-2-yl]oxybenzoate Openeye Name: ethyl 4-[9-benzyl-6-(5-carbamimidoyl-2-methyl-phenoxy)-8-methyl-purin-2-yl]oxybenzoate CAS Name: 4-[[6-(5-carbamimidoyl-2-methylphenoxy)-8-methyl-9-(phenylmethyl)-2-purinyl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[9-benzyl-6-(5-carbamimidoyl-2-methylphenoxy)-8-methylpurin-2-yl]oxybenzoate Traditional Name: 4-[6-(5-amidino-2-methyl-phenoxy)-9-benzyl-8-methyl-purin-2-yl]oxybenzoic acid ethyl ester Formula: C30H28N6O4 MolecularWeight: 536.58112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28N6O4/c1-4-38-29(37)21-12-14-23(15-13-21)39-30-34-27-25(33-19(3)36(27)17-20-8-6-5-7-9-20)28(35-30)40-24-16-22(26(31)32)11-10-18(24)2/h5-16H,4,17H2,1-3H3,(H3,31,32)