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

Systemtic Name: 3,7-dimethyl-1-[3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[4-(2-naphthylsulfonyl)piperazin-1-yl]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[4-(2-naphthylsulfonyl)piperazino]propyl]xanthine Formula: C24H28N6O4S MolecularWeight: 496.58192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H28N6O4S/c1-26-17-25-22-21(26)23(31)30(24(32)27(22)2)11-5-10-28-12-14-29(15-13-28)35(33,34)20-9-8-18-6-3-4-7-19(18)16-20/h3-4,6-9,16-17H,5,10-15H2,1-2H3