2-(ethylamino)ethanol; 7-ethyl-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione; hydrochloride

Systemtic Name: 2-(ethylamino)ethanol; 7-ethyl-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione; hydrochloride Openeye Name: 8-benzyl-7-ethyl-1,3-dimethyl-purine-2,6-dione; 2-(ethylamino)ethanol; hydrochloride CAS Name: 2-(ethylamino)ethanol; 7-ethyl-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione; hydrochloride IUPAC Name: 8-benzyl-7-ethyl-1,3-dimethylpurine-2,6-dione; 2-(ethylamino)ethanol; hydrochloride Traditional Name: 8-benzyl-7-ethyl-1,3-dimethyl-xanthine; 2-(ethylamino)ethanol; hydrochloride Formula: C20H30ClN5O3 MolecularWeight: 423.9369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2.C4H11NO.ClH/c1-4-20-12(10-11-8-6-5-7-9-11)17-14-13(20)15(21)19(3)16(22)18(14)2;1-2-5-3-4-6;/h5-9H,4,10H2,1-3H3;5-6H,2-4H2,1H3;1H