6-butyl-8-(5-piperazin-1-ylsulfonyl-2-propoxy-phenyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one

Systemtic Name: 6-butyl-8-(5-piperazin-1-ylsulfonyl-2-propoxy-phenyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one Openeye Name: 6-butyl-8-(5-piperazin-1-ylsulfonyl-2-propoxy-phenyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one CAS Name: 6-butyl-8-[5-(1-piperazinylsulfonyl)-2-propoxyphenyl]-1H-[1,2,4]triazolo[3,4-f]purin-5-one IUPAC Name: 6-butyl-8-(5-piperazin-1-ylsulfonyl-2-propoxyphenyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one Traditional Name: 6-butyl-8-(5-piperazinosulfonyl-2-propoxy-phenyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one Formula: C23H30N8O4S MolecularWeight: 514.6005

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NC(=NC2=C3NN=CN3C1=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCNCC5)OCCC

Isomeric SMILES

CCCCN1C2=NC(=NC2=C3NN=CN3C1=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCNCC5)OCCC

InChI

InChI=1S/C23H30N8O4S/c1-3-5-10-30-21-19(22-28-25-15-31(22)23(30)32)26-20(27-21)17-14-16(6-7-18(17)35-13-4-2)36(33,34)29-11-8-24-9-12-29/h6-7,14-15,24,28H,3-5,8-13H2,1-2H3