3-butyl-1-(cyclopropylmethyl)-7-(3,4-dimethoxyphenyl)sulfonyl-purine-2,6-dione

Systemtic Name: 3-butyl-1-(cyclopropylmethyl)-7-(3,4-dimethoxyphenyl)sulfonyl-purine-2,6-dione Openeye Name: 3-butyl-1-(cyclopropylmethyl)-7-(3,4-dimethoxyphenyl)sulfonyl-purine-2,6-dione CAS Name: 3-butyl-1-(cyclopropylmethyl)-7-(3,4-dimethoxyphenyl)sulfonylpurine-2,6-dione IUPAC Name: 3-butyl-1-(cyclopropylmethyl)-7-(3,4-dimethoxyphenyl)sulfonylpurine-2,6-dione Traditional Name: 3-butyl-1-(cyclopropylmethyl)-7-(3,4-dimethoxyphenyl)sulfonyl-xanthine Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3CC3)N(C=N2)S(=O)(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3CC3)N(C=N2)S(=O)(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H26N4O6S/c1-4-5-10-23-19-18(20(26)24(21(23)27)12-14-6-7-14)25(13-22-19)32(28,29)15-8-9-16(30-2)17(11-15)31-3/h8-9,11,13-14H,4-7,10,12H2,1-3H3