7-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-keto-2-(4-p-phenetylsulfonylpiperazino)ethyl]-1,3-dimethyl-xanthine Formula: C21H26N6O6S MolecularWeight: 490.53274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C21H26N6O6S/c1-4-33-15-5-7-16(8-6-15)34(31,32)27-11-9-25(10-12-27)17(28)13-26-14-22-19-18(26)20(29)24(3)21(30)23(19)2/h5-8,14H,4,9-13H2,1-3H3