1-(8-azanyl-5-methyl-5-oxidanyl-oct-6-ynyl)-3-methyl-7-propyl-purine-2,6-dione hydrochloride

Systemtic Name: 1-(8-azanyl-5-methyl-5-oxidanyl-oct-6-ynyl)-3-methyl-7-propyl-purine-2,6-dione hydrochloride Openeye Name: 1-(8-amino-5-hydroxy-5-methyl-oct-6-ynyl)-3-methyl-7-propyl-purine-2,6-dione hydrochloride CAS Name: 1-(8-amino-5-hydroxy-5-methyloct-6-ynyl)-3-methyl-7-propylpurine-2,6-dione hydrochloride IUPAC Name: 1-(8-amino-5-hydroxy-5-methyloct-6-ynyl)-3-methyl-7-propylpurine-2,6-dione hydrochloride Traditional Name: 1-(8-amino-5-hydroxy-5-methyl-oct-6-ynyl)-3-methyl-7-propyl-xanthine hydrochloride Formula: C18H28ClN5O3 MolecularWeight: 397.89962

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C#CCN)O.Cl

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C#CCN)O.Cl

InChI

InChI=1S/C18H27N5O3.ClH/c1-4-11-22-13-20-15-14(22)16(24)23(17(25)21(15)3)12-6-5-8-18(2,26)9-7-10-19;/h13,26H,4-6,8,10-12,19H2,1-3H3;1H