3-butyl-7-methyl-8-thiophen-3-yl-purine-2,6-dione

Systemtic Name: 3-butyl-7-methyl-8-thiophen-3-yl-purine-2,6-dione Openeye Name: 3-butyl-7-methyl-8-(3-thienyl)purine-2,6-dione CAS Name: 3-butyl-7-methyl-8-(3-thiophenyl)purine-2,6-dione IUPAC Name: 3-butyl-7-methyl-8-thiophen-3-ylpurine-2,6-dione Traditional Name: 3-butyl-7-methyl-8-(3-thienyl)xanthine Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CSC=C3)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CSC=C3)C

InChI

InChI=1S/C14H16N4O2S/c1-3-4-6-18-12-10(13(19)16-14(18)20)17(2)11(15-12)9-5-7-21-8-9/h5,7-8H,3-4,6H2,1-2H3,(H,16,19,20)