3-methyl-8-[2-(methylamino)ethoxy]-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione hydrochloride

Systemtic Name: 3-methyl-8-[2-(methylamino)ethoxy]-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione hydrochloride Openeye Name: 3-methyl-8-[2-(methylamino)ethoxy]-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione hydrochloride CAS Name: 3-methyl-8-[2-(methylamino)ethoxy]-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione hydrochloride IUPAC Name: 3-methyl-8-[2-(methylamino)ethoxy]-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione hydrochloride Traditional Name: 3-methyl-8-[2-(methylamino)ethoxy]-7-(3-methylbut-2-enyl)-1-phenacyl-xanthine hydrochloride Formula: C22H28ClN5O4 MolecularWeight: 461.94182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1OCCNC)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3)C)C.Cl

Isomeric SMILES

CC(=CCN1C2=C(N=C1OCCNC)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3)C)C.Cl

InChI

InChI=1S/C22H27N5O4.ClH/c1-15(2)10-12-26-18-19(24-21(26)31-13-11-23-3)25(4)22(30)27(20(18)29)14-17(28)16-8-6-5-7-9-16;/h5-10,23H,11-14H2,1-4H3;1H