3-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]purine-2,6-dione hydrochloride

Systemtic Name: 3-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]purine-2,6-dione hydrochloride Openeye Name: 3-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]purine-2,6-dione hydrochloride CAS Name: 3-methyl-7-[[2-(1-pyrrolidinylmethyl)-1,3-dioxolan-4-yl]methyl]purine-2,6-dione hydrochloride IUPAC Name: 3-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]purine-2,6-dione hydrochloride Traditional Name: 3-methyl-7-[[2-(pyrrolidinomethyl)-1,3-dioxolan-4-yl]methyl]xanthine hydrochloride Formula: C15H22ClN5O4 MolecularWeight: 371.81928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CC3COC(O3)CN4CCCC4.Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CC3COC(O3)CN4CCCC4.Cl

InChI

InChI=1S/C15H21N5O4.ClH/c1-18-13-12(14(21)17-15(18)22)20(9-16-13)6-10-8-23-11(24-10)7-19-4-2-3-5-19;/h9-11H,2-8H2,1H3,(H,17,21,22);1H