7-[2-(3,4-dimethoxyphenyl)ethyl]-3-(phenylmethyl)-8-thiophen-2-yl-purine-2,6-dione

Systemtic Name: 7-[2-(3,4-dimethoxyphenyl)ethyl]-3-(phenylmethyl)-8-thiophen-2-yl-purine-2,6-dione Openeye Name: 3-benzyl-7-[2-(3,4-dimethoxyphenyl)ethyl]-8-(2-thienyl)purine-2,6-dione CAS Name: 7-[2-(3,4-dimethoxyphenyl)ethyl]-3-(phenylmethyl)-8-thiophen-2-ylpurine-2,6-dione IUPAC Name: 3-benzyl-7-[2-(3,4-dimethoxyphenyl)ethyl]-8-thiophen-2-ylpurine-2,6-dione Traditional Name: 3-benzyl-7-homoveratryl-8-(2-thienyl)xanthine Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C3=C(N=C2C4=CC=CS4)N(C(=O)NC3=O)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C3=C(N=C2C4=CC=CS4)N(C(=O)NC3=O)CC5=CC=CC=C5)OC

InChI

InChI=1S/C26H24N4O4S/c1-33-19-11-10-17(15-20(19)34-2)12-13-29-22-24(27-23(29)21-9-6-14-35-21)30(26(32)28-25(22)31)16-18-7-4-3-5-8-18/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,31,32)