7-(2-hydroxyethyl)-3-(phenylmethyl)-8-thiophen-2-yl-purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-3-(phenylmethyl)-8-thiophen-2-yl-purine-2,6-dione Openeye Name: 3-benzyl-7-(2-hydroxyethyl)-8-(2-thienyl)purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-3-(phenylmethyl)-8-thiophen-2-ylpurine-2,6-dione IUPAC Name: 3-benzyl-7-(2-hydroxyethyl)-8-thiophen-2-ylpurine-2,6-dione Traditional Name: 3-benzyl-7-(2-hydroxyethyl)-8-(2-thienyl)xanthine Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)N(C(=N3)C4=CC=CS4)CCO

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)N(C(=N3)C4=CC=CS4)CCO

InChI

InChI=1S/C18H16N4O3S/c23-9-8-21-14-16(19-15(21)13-7-4-10-26-13)22(18(25)20-17(14)24)11-12-5-2-1-3-6-12/h1-7,10,23H,8-9,11H2,(H,20,24,25)