9-butyl-1-methyl-8-thiophen-2-yl-3H-purine-2,6-dione

Systemtic Name: 9-butyl-1-methyl-8-thiophen-2-yl-3H-purine-2,6-dione Openeye Name: 9-butyl-1-methyl-8-(2-thienyl)-3H-purine-2,6-dione CAS Name: 9-butyl-1-methyl-8-thiophen-2-yl-3H-purine-2,6-dione IUPAC Name: 9-butyl-1-methyl-8-thiophen-2-yl-3H-purine-2,6-dione Traditional Name: 9-butyl-1-methyl-8-(2-thienyl)xanthine Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=CS3

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=CS3

InChI

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