8-(5-piperazin-1-ylsulfonyl-2-propoxy-phenyl)-3-propyl-7H-purine-2,6-dione

Systemtic Name: 8-(5-piperazin-1-ylsulfonyl-2-propoxy-phenyl)-3-propyl-7H-purine-2,6-dione Openeye Name: 8-(5-piperazin-1-ylsulfonyl-2-propoxy-phenyl)-3-propyl-7H-purine-2,6-dione CAS Name: 8-[5-(1-piperazinylsulfonyl)-2-propoxyphenyl]-3-propyl-7H-purine-2,6-dione IUPAC Name: 8-(5-piperazin-1-ylsulfonyl-2-propoxyphenyl)-3-propyl-7H-purine-2,6-dione Traditional Name: 8-(5-piperazinosulfonyl-2-propoxy-phenyl)-3-propyl-7H-purine-2,6-quinone Formula: C21H28N6O5S MolecularWeight: 476.54922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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