3-methyl-1-(5-methyl-5-oxidanyl-8-pyrrolidin-1-yl-oct-6-ynyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-1-(5-methyl-5-oxidanyl-8-pyrrolidin-1-yl-oct-6-ynyl)-7-propyl-purine-2,6-dione Openeye Name: 1-(5-hydroxy-5-methyl-8-pyrrolidin-1-yl-oct-6-ynyl)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-[5-hydroxy-5-methyl-8-(1-pyrrolidinyl)oct-6-ynyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-(5-hydroxy-5-methyl-8-pyrrolidin-1-yloct-6-ynyl)-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-(5-hydroxy-5-methyl-8-pyrrolidino-oct-6-ynyl)-3-methyl-7-propyl-xanthine Formula: C22H33N5O3 MolecularWeight: 415.52912

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C#CCN3CCCC3)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C#CCN3CCCC3)O

InChI

InChI=1S/C22H33N5O3/c1-4-12-26-17-23-19-18(26)20(28)27(21(29)24(19)3)16-6-5-10-22(2,30)11-9-15-25-13-7-8-14-25/h17,30H,4-8,10,12-16H2,1-3H3