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

Systemtic Name: 1,3-dibutyl-7-naphthalen-1-ylsulfonyl-purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(1-naphthylsulfonyl)purine-2,6-dione CAS Name: 1,3-dibutyl-7-(1-naphthalenylsulfonyl)purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-naphthalen-1-ylsulfonylpurine-2,6-dione Traditional Name: 1,3-dibutyl-7-(1-naphthylsulfonyl)xanthine Formula: C23H26N4O4S MolecularWeight: 454.54194

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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=CC4=CC=CC=C43

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H26N4O4S/c1-3-5-14-25-21-20(22(28)26(23(25)29)15-6-4-2)27(16-24-21)32(30,31)19-13-9-11-17-10-7-8-12-18(17)19/h7-13,16H,3-6,14-15H2,1-2H3