3-butyl-7-(2-methoxyethyl)-8-thiophen-2-yl-purine-2,6-dione

Systemtic Name: 3-butyl-7-(2-methoxyethyl)-8-thiophen-2-yl-purine-2,6-dione Openeye Name: 3-butyl-7-(2-methoxyethyl)-8-(2-thienyl)purine-2,6-dione CAS Name: 3-butyl-7-(2-methoxyethyl)-8-thiophen-2-ylpurine-2,6-dione IUPAC Name: 3-butyl-7-(2-methoxyethyl)-8-thiophen-2-ylpurine-2,6-dione Traditional Name: 3-butyl-7-(2-methoxyethyl)-8-(2-thienyl)xanthine Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CS3)CCOC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CS3)CCOC

InChI

InChI=1S/C16H20N4O3S/c1-3-4-7-20-14-12(15(21)18-16(20)22)19(8-9-23-2)13(17-14)11-6-5-10-24-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,18,21,22)