7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione hydrochloride

Systemtic Name: 7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione hydrochloride Openeye Name: 8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione hydrochloride IUPAC Name: 8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethyl-xanthine hydrochloride Formula: C20H28ClN5O3 MolecularWeight: 421.92102

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)CCO.Cl

Isomeric SMILES

CCN(CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)CCO.Cl

InChI

InChI=1S/C20H27N5O3.ClH/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2;/h5-9,26H,4,10-14H2,1-3H3;1H