8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-9-propyl-3H-purin-6-one

Systemtic Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-9-propyl-3H-purin-6-one Openeye Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-9-propyl-3H-purin-6-one CAS Name: 8-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-9-propyl-3H-purin-6-one IUPAC Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-9-propyl-3H-purin-6-one Traditional Name: 8-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-9-propyl-3H-purin-6-one Formula: C21H28N6O4S MolecularWeight: 460.54982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N=CN2)N=C1C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC

Isomeric SMILES

CCCN1C2=C(C(=O)N=CN2)N=C1C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC

InChI

InChI=1S/C21H28N6O4S/c1-4-8-27-19(24-18-20(27)22-14-23-21(18)28)16-13-15(6-7-17(16)31-5-2)32(29,30)26-11-9-25(3)10-12-26/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,22,23,28)