3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-[(3R)-pyrrolidin-3-yl]oxy-purine-2,6-dione hydrochloride

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-[(3R)-pyrrolidin-3-yl]oxy-purine-2,6-dione hydrochloride Openeye Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-[(3R)-pyrrolidin-3-yl]oxy-purine-2,6-dione hydrochloride CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-[[(3R)-3-pyrrolidinyl]oxy]purine-2,6-dione hydrochloride IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-[(3R)-pyrrolidin-3-yl]oxypurine-2,6-dione hydrochloride Traditional Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-[(3R)-pyrrolidin-3-yl]oxy-xanthine hydrochloride Formula: C23H28ClN5O4 MolecularWeight: 473.95252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1OC3CCNC3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C.Cl

Isomeric SMILES

CC(=CCN1C2=C(N=C1O[C@@H]3CCNC3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C.Cl

InChI

InChI=1S/C23H27N5O4.ClH/c1-15(2)10-12-27-19-20(25-22(27)32-17-9-11-24-13-17)26(3)23(31)28(21(19)30)14-18(29)16-7-5-4-6-8-16;/h4-8,10,17,24H,9,11-14H2,1-3H3;1H/t17-;/m1./s1