7-(5-piperazin-1-ylsulfonyl-2-propoxy-phenyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-(5-piperazin-1-ylsulfonyl-2-propoxy-phenyl)-3-propyl-purine-2,6-dione Openeye Name: 7-(5-piperazin-1-ylsulfonyl-2-propoxy-phenyl)-3-propyl-purine-2,6-dione CAS Name: 7-[5-(1-piperazinylsulfonyl)-2-propoxyphenyl]-3-propylpurine-2,6-dione IUPAC Name: 7-(5-piperazin-1-ylsulfonyl-2-propoxyphenyl)-3-propylpurine-2,6-dione Traditional Name: 7-(5-piperazinosulfonyl-2-propoxy-phenyl)-3-propyl-xanthine Formula: C21H28N6O5S MolecularWeight: 476.54922

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCNCC4)OCCC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCNCC4)OCCC

InChI

InChI=1S/C21H28N6O5S/c1-3-9-26-19-18(20(28)24-21(26)29)27(14-23-19)16-13-15(5-6-17(16)32-12-4-2)33(30,31)25-10-7-22-8-11-25/h5-6,13-14,22H,3-4,7-12H2,1-2H3,(H,24,28,29)