1,3-dimethyl-8-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-1,3-dimethyl-8-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-8-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3-dimethyl-xanthine Formula: C16H23N5O3S MolecularWeight: 365.45052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)N3CCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)N3CCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H23N5O3S/c1-10(2)21-12-13(18(3)16(24)19(4)14(12)23)17-15(21)25-9-11(22)20-7-5-6-8-20/h10H,5-9H2,1-4H3