7-[1-(cyclohexylamino)propan-2-yl]-1,3-dimethyl-purine-2,6-dione hydrochloride

Systemtic Name: 7-[1-(cyclohexylamino)propan-2-yl]-1,3-dimethyl-purine-2,6-dione hydrochloride Openeye Name: 7-[2-(cyclohexylamino)-1-methyl-ethyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[1-(cyclohexylamino)propan-2-yl]-1,3-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 7-[1-(cyclohexylamino)propan-2-yl]-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 7-[2-(cyclohexylamino)-1-methyl-ethyl]-1,3-dimethyl-xanthine hydrochloride Formula: C16H26ClN5O2 MolecularWeight: 355.86294

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1CCCCC1)N2C=NC3=C2C(=O)N(C(=O)N3C)C.Cl

Isomeric SMILES

CC(CNC1CCCCC1)N2C=NC3=C2C(=O)N(C(=O)N3C)C.Cl

InChI

InChI=1S/C16H25N5O2.ClH/c1-11(9-17-12-7-5-4-6-8-12)21-10-18-14-13(21)15(22)20(3)16(23)19(14)2;/h10-12,17H,4-9H2,1-3H3;1H