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

Systemtic Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]purine-2,6-dione Openeye Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione CAS Name: 8-[4-(2-hydroxyethyl)-1-piperazinyl]-1,3-dimethyl-7-[2-[(1-phenyl-5-tetrazolyl)thio]ethyl]purine-2,6-dione IUPAC Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione Traditional Name: 8-[4-(2-hydroxyethyl)piperazino]-1,3-dimethyl-7-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]xanthine Formula: C22H28N10O3S MolecularWeight: 512.58792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CCO)CCSC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CCO)CCSC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C22H28N10O3S/c1-27-18-17(19(34)28(2)22(27)35)31(20(23-18)30-10-8-29(9-11-30)12-14-33)13-15-36-21-24-25-26-32(21)16-6-4-3-5-7-16/h3-7,33H,8-15H2,1-2H3