8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-6-oxidanylidene-1-phenethyl-purine-2-carbonitrile hydrochloride

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-6-oxidanylidene-1-phenethyl-purine-2-carbonitrile hydrochloride Openeye Name: 8-(3-amino-1-piperidyl)-7-but-2-ynyl-6-oxo-1-phenethyl-purine-2-carbonitrile hydrochloride CAS Name: 8-(3-amino-1-piperidinyl)-7-but-2-ynyl-6-oxo-1-phenethyl-2-purinecarbonitrile hydrochloride IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-6-oxo-1-phenethylpurine-2-carbonitrile hydrochloride Traditional Name: 8-(3-aminopiperidino)-7-but-2-ynyl-6-keto-1-phenethyl-purine-2-carbonitrile hydrochloride Formula: C23H26ClN7O MolecularWeight: 451.95184

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)CCC3=CC=CC=C3)C#N)N=C1N4CCCC(C4)N.Cl

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)CCC3=CC=CC=C3)C#N)N=C1N4CCCC(C4)N.Cl

InChI

InChI=1S/C23H25N7O.ClH/c1-2-3-13-30-20-21(27-23(30)28-12-7-10-18(25)16-28)26-19(15-24)29(22(20)31)14-11-17-8-5-4-6-9-17;/h4-6,8-9,18H,7,10-14,16,25H2,1H3;1H