1-ethyl-8-(4-piperidin-1-ylsulfonylphenyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-ethyl-8-(4-piperidin-1-ylsulfonylphenyl)-3,7-dihydropurine-2,6-dione Openeye Name: 1-ethyl-8-[4-(1-piperidylsulfonyl)phenyl]-3,7-dihydropurine-2,6-dione CAS Name: 1-ethyl-8-[4-(1-piperidinylsulfonyl)phenyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 1-ethyl-8-(4-piperidin-1-ylsulfonylphenyl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-ethyl-8-(4-piperidinosulfonylphenyl)-7H-xanthine Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C18H21N5O4S/c1-2-23-17(24)14-16(21-18(23)25)20-15(19-14)12-6-8-13(9-7-12)28(26,27)22-10-4-3-5-11-22/h6-9H,2-5,10-11H2,1H3,(H,19,20)(H,21,25)