8-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-methyl-7-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]purine-2,6-dione

Systemtic Name: 8-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-methyl-7-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]purine-2,6-dione Openeye Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione CAS Name: 8-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3-methyl-7-[2-[(1-phenyl-5-tetrazolyl)thio]ethyl]purine-2,6-dione IUPAC Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione Traditional Name: 8-[4-(2-furoyl)piperazino]-3-methyl-7-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]xanthine Formula: C24H24N10O4S MolecularWeight: 548.57696

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)CCSC5=NN=NN5C6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)CCSC5=NN=NN5C6=CC=CC=C6

InChI

InChI=1S/C24H24N10O4S/c1-30-19-18(20(35)26-23(30)37)33(13-15-39-24-27-28-29-34(24)16-6-3-2-4-7-16)22(25-19)32-11-9-31(10-12-32)21(36)17-8-5-14-38-17/h2-8,14H,9-13,15H2,1H3,(H,26,35,37)