1-[2-(cyclohexylamino)ethyl]-3,7-diethyl-purine-2,6-dione hydrochloride

Systemtic Name: 1-[2-(cyclohexylamino)ethyl]-3,7-diethyl-purine-2,6-dione hydrochloride Openeye Name: 1-[2-(cyclohexylamino)ethyl]-3,7-diethyl-purine-2,6-dione hydrochloride CAS Name: 1-[2-(cyclohexylamino)ethyl]-3,7-diethylpurine-2,6-dione hydrochloride IUPAC Name: 1-[2-(cyclohexylamino)ethyl]-3,7-diethylpurine-2,6-dione hydrochloride Traditional Name: 1-[2-(cyclohexylamino)ethyl]-3,7-diethyl-xanthine hydrochloride Formula: C17H28ClN5O2 MolecularWeight: 369.88952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCNC3CCCCC3.Cl

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCNC3CCCCC3.Cl

InChI

InChI=1S/C17H27N5O2.ClH/c1-3-20-12-19-15-14(20)16(23)22(17(24)21(15)4-2)11-10-18-13-8-6-5-7-9-13;/h12-13,18H,3-11H2,1-2H3;1H