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

Systemtic Name: 8-(4-piperidin-1-ylsulfonylphenyl)-1-propyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-[4-(1-piperidylsulfonyl)phenyl]-1-propyl-3,7-dihydropurine-2,6-dione CAS Name: 8-[4-(1-piperidinylsulfonyl)phenyl]-1-propyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-(4-piperidin-1-ylsulfonylphenyl)-1-propyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-(4-piperidinosulfonylphenyl)-1-propyl-7H-xanthine Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C19H23N5O4S/c1-2-10-24-18(25)15-17(22-19(24)26)21-16(20-15)13-6-8-14(9-7-13)29(27,28)23-11-4-3-5-12-23/h6-9H,2-5,10-12H2,1H3,(H,20,21)(H,22,26)