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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1OCC3CCN3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C.Cl

Isomeric SMILES

CC(=CCN1C2=C(N=C1OC[C@H]3CCN3)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)32-14-17-9-11-24-17)26(3)23(31)28(21(19)30)13-18(29)16-7-5-4-6-8-16;/h4-8,10,17,24H,9,11-14H2,1-3H3;1H/t17-;/m1./s1