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

Systemtic Name: 7-butyl-3-propyl-8-thiophen-3-yl-purine-2,6-dione Openeye Name: 7-butyl-3-propyl-8-(3-thienyl)purine-2,6-dione CAS Name: 7-butyl-3-propyl-8-(3-thiophenyl)purine-2,6-dione IUPAC Name: 7-butyl-3-propyl-8-thiophen-3-ylpurine-2,6-dione Traditional Name: 7-butyl-3-propyl-8-(3-thienyl)xanthine Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CSC=C3)N(C(=O)NC2=O)CCC

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CSC=C3)N(C(=O)NC2=O)CCC

InChI

InChI=1S/C16H20N4O2S/c1-3-5-8-19-12-14(17-13(19)11-6-9-23-10-11)20(7-4-2)16(22)18-15(12)21/h6,9-10H,3-5,7-8H2,1-2H3,(H,18,21,22)