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

Systemtic Name: 3,7-dimethyl-1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 1-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]-3,7-dimethyl-xanthine Formula: C23H24N6O5S MolecularWeight: 496.53886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C23H24N6O5S/c1-25-15-24-21-20(25)22(31)29(23(32)26(21)2)14-19(30)27-9-11-28(12-10-27)35(33,34)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,9-12,14H2,1-2H3