2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-8-methyl-7-propyl-3H-purin-6-one

Systemtic Name: 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-8-methyl-7-propyl-3H-purin-6-one Openeye Name: 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-8-methyl-7-propyl-3H-purin-6-one CAS Name: 2-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-8-methyl-7-propyl-3H-purin-6-one IUPAC Name: 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-8-methyl-7-propyl-3H-purin-6-one Traditional Name: 2-[2-ethoxy-5-(4-ethylpiperazino)sulfonyl-phenyl]-8-methyl-7-propyl-3H-purin-6-one Formula: C23H32N6O4S MolecularWeight: 488.60298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)N=C(N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)N=C(N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C

InChI

InChI=1S/C23H32N6O4S/c1-5-10-29-16(4)24-22-20(29)23(30)26-21(25-22)18-15-17(8-9-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h8-9,15H,5-7,10-14H2,1-4H3,(H,25,26,30)