9-butyl-1-methyl-8-(5-methylthiophen-2-yl)-3H-purine-2,6-dione

Systemtic Name: 9-butyl-1-methyl-8-(5-methylthiophen-2-yl)-3H-purine-2,6-dione Openeye Name: 9-butyl-1-methyl-8-(5-methyl-2-thienyl)-3H-purine-2,6-dione CAS Name: 9-butyl-1-methyl-8-(5-methyl-2-thiophenyl)-3H-purine-2,6-dione IUPAC Name: 9-butyl-1-methyl-8-(5-methylthiophen-2-yl)-3H-purine-2,6-dione Traditional Name: 9-butyl-1-methyl-8-(5-methyl-2-thienyl)xanthine Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=C(S3)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=C(S3)C

InChI

InChI=1S/C15H18N4O2S/c1-4-5-8-19-12(10-7-6-9(2)22-10)16-11-13(19)17-15(21)18(3)14(11)20/h6-7H,4-5,8H2,1-3H3,(H,17,21)