1,3-dimethyl-7-[3-[methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-2-oxidanyl-propyl]purine-2,6-dione hydrochloride

Systemtic Name: 1,3-dimethyl-7-[3-[methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-2-oxidanyl-propyl]purine-2,6-dione hydrochloride Openeye Name: 7-[2-hydroxy-3-[methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[2-hydroxy-3-[methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 7-[2-hydroxy-3-[methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 7-[2-hydroxy-3-[methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]propyl]-1,3-dimethyl-xanthine hydrochloride Formula: C17H27ClN6O3 MolecularWeight: 398.88768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)C3=NCCCCC3)O.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)C3=NCCCCC3)O.Cl

InChI

InChI=1S/C17H26N6O3.ClH/c1-20(13-7-5-4-6-8-18-13)9-12(24)10-23-11-19-15-14(23)16(25)22(3)17(26)21(15)2;/h11-12,24H,4-10H2,1-3H3;1H