7-but-2-ynyl-1-methyl-3-(2-oxidanylidenepyrrolidin-3-yl)-8-piperazin-1-yl-purine-2,6-dione hydrochloride

Systemtic Name: 7-but-2-ynyl-1-methyl-3-(2-oxidanylidenepyrrolidin-3-yl)-8-piperazin-1-yl-purine-2,6-dione hydrochloride Openeye Name: 7-but-2-ynyl-1-methyl-3-(2-oxopyrrolidin-3-yl)-8-piperazin-1-yl-purine-2,6-dione hydrochloride CAS Name: 7-but-2-ynyl-1-methyl-3-(2-oxo-3-pyrrolidinyl)-8-(1-piperazinyl)purine-2,6-dione hydrochloride IUPAC Name: 7-but-2-ynyl-1-methyl-3-(2-oxopyrrolidin-3-yl)-8-piperazin-1-ylpurine-2,6-dione hydrochloride Traditional Name: 7-but-2-ynyl-3-(2-ketopyrrolidin-3-yl)-1-methyl-8-piperazino-xanthine hydrochloride Formula: C18H24ClN7O3 MolecularWeight: 421.88126

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C4CCNC4=O.Cl

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C4CCNC4=O.Cl

InChI

InChI=1S/C18H23N7O3.ClH/c1-3-4-9-24-13-14(21-17(24)23-10-7-19-8-11-23)25(12-5-6-20-15(12)26)18(28)22(2)16(13)27;/h12,19H,5-11H2,1-2H3,(H,20,26);1H