1,3-dibutyl-7-thiophen-2-ylsulfonyl-purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-thiophen-2-ylsulfonyl-purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(2-thienylsulfonyl)purine-2,6-dione CAS Name: 1,3-dibutyl-7-thiophen-2-ylsulfonylpurine-2,6-dione IUPAC Name: 1,3-dibutyl-7-thiophen-2-ylsulfonylpurine-2,6-dione Traditional Name: 1,3-dibutyl-7-(2-thienylsulfonyl)xanthine Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H22N4O4S2/c1-3-5-9-19-15-14(16(22)20(17(19)23)10-6-4-2)21(12-18-15)27(24,25)13-8-7-11-26-13/h7-8,11-12H,3-6,9-10H2,1-2H3