7-[3-[2-hydroxyethyl(2,3,4,5-tetrahydropyridin-6-yl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride

Systemtic Name: 7-[3-[2-hydroxyethyl(2,3,4,5-tetrahydropyridin-6-yl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride Openeye Name: 7-[2-hydroxy-3-[2-hydroxyethyl(2,3,4,5-tetrahydropyridin-6-yl)amino]propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[2-hydroxy-3-[2-hydroxyethyl(2,3,4,5-tetrahydropyridin-6-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 7-[2-hydroxy-3-[2-hydroxyethyl(2,3,4,5-tetrahydropyridin-6-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 7-[2-hydroxy-3-[2-hydroxyethyl(2,3,4,5-tetrahydropyridin-6-yl)amino]propyl]-1,3-dimethyl-xanthine hydrochloride Formula: C17H27ClN6O4 MolecularWeight: 414.88708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(CCO)C3=NCCCC3)O.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(CCO)C3=NCCCC3)O.Cl

InChI

InChI=1S/C17H26N6O4.ClH/c1-20-15-14(16(26)21(2)17(20)27)23(11-19-15)10-12(25)9-22(7-8-24)13-5-3-4-6-18-13;/h11-12,24-25H,3-10H2,1-2H3;1H