1,3,9-trimethyl-8-(2-pyrrolidin-1-ylethylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3,9-trimethyl-8-(2-pyrrolidin-1-ylethylsulfanyl)purine-2,6-dione Openeye Name: 1,3,9-trimethyl-8-(2-pyrrolidin-1-ylethylsulfanyl)purine-2,6-dione CAS Name: 1,3,9-trimethyl-8-[2-(1-pyrrolidinyl)ethylthio]purine-2,6-dione IUPAC Name: 1,3,9-trimethyl-8-(2-pyrrolidin-1-ylethylsulfanyl)purine-2,6-dione Traditional Name: 1,3,9-trimethyl-8-(2-pyrrolidinoethylthio)xanthine Formula: C14H21N5O2S MolecularWeight: 323.41384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCCN3CCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCCN3CCCC3

InChI

InChI=1S/C14H21N5O2S/c1-16-11-10(12(20)18(3)14(21)17(11)2)15-13(16)22-9-8-19-6-4-5-7-19/h4-9H2,1-3H3