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

Systemtic Name: 8-[(1R,2R)-2-azanylcyclohexyl]oxy-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione hydrochloride Openeye Name: 8-[(1R,2R)-2-aminocyclohexoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione hydrochloride CAS Name: 8-[(1R,2R)-2-aminocyclohexyl]oxy-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione hydrochloride IUPAC Name: 8-[(1R,2R)-2-aminocyclohexyl]oxy-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione hydrochloride Traditional Name: 8-[(1R,2R)-2-aminocyclohexoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-xanthine hydrochloride Formula: C25H32ClN5O4 MolecularWeight: 502.00568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1OC3CCCCC3N)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O4.ClH/c1-16(2)13-14-29-21-22(27-24(29)34-20-12-8-7-11-18(20)26)28(3)25(33)30(23(21)32)15-19(31)17-9-5-4-6-10-17;/h4-6,9-10,13,18,20H,7-8,11-12,14-15,26H2,1-3H3;1H/t18-,20-;/m1./s1