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

Systemtic Name: 8-(2-ethoxy-5-piperazin-1-ylsulfonyl-phenyl)-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Openeye Name: 8-(2-ethoxy-5-piperazin-1-ylsulfonyl-phenyl)-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one CAS Name: 8-[2-ethoxy-5-(1-piperazinylsulfonyl)phenyl]-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one IUPAC Name: 8-(2-ethoxy-5-piperazin-1-ylsulfonylphenyl)-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Traditional Name: 8-(2-ethoxy-5-piperazinosulfonyl-phenyl)-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Formula: C21H26N8O4S MolecularWeight: 486.54734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC2=C3NN=CN3C1=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCNCC5)OCC

Isomeric SMILES

CCCN1C2=NC(=NC2=C3NN=CN3C1=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCNCC5)OCC

InChI

InChI=1S/C21H26N8O4S/c1-3-9-28-19-17(20-26-23-13-29(20)21(28)30)24-18(25-19)15-12-14(5-6-16(15)33-4-2)34(31,32)27-10-7-22-8-11-27/h5-6,12-13,22,26H,3-4,7-11H2,1-2H3