2-[2-propoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-phenyl]-9-propyl-3H-purin-6-one

Systemtic Name: 2-[2-propoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-phenyl]-9-propyl-3H-purin-6-one Openeye Name: 2-[2-propoxy-5-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-phenyl]-9-propyl-3H-purin-6-one CAS Name: 2-[2-propoxy-5-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]phenyl]-9-propyl-3H-purin-6-one IUPAC Name: 2-[2-propoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-9-propyl-3H-purin-6-one Traditional Name: 2-[2-propoxy-5-[4-(2-pyridyl)piperazino]sulfonyl-phenyl]-9-propyl-3H-purin-6-one Formula: C26H31N7O4S MolecularWeight: 537.63384

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=N5)OCCC

Isomeric SMILES

CCCN1C=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=N5)OCCC

InChI

InChI=1S/C26H31N7O4S/c1-3-11-32-18-28-23-25(32)29-24(30-26(23)34)20-17-19(8-9-21(20)37-16-4-2)38(35,36)33-14-12-31(13-15-33)22-7-5-6-10-27-22/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,29,30,34)