3-methyl-7-[2-methyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl]-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[2-methyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl]-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfanyl-propyl]-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-[2-methyl-3-[(1-phenyl-5-tetrazolyl)thio]propyl]-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[2-methyl-3-[(1-phenyltetrazol-5-yl)thio]propyl]-8-pyrrolidino-xanthine Formula: C21H25N9O2S MolecularWeight: 467.5473

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)CSC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)CSC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H25N9O2S/c1-14(13-33-21-24-25-26-30(21)15-8-4-3-5-9-15)12-29-16-17(27(2)20(32)23-18(16)31)22-19(29)28-10-6-7-11-28/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,23,31,32)