8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-[(4-cyanophenyl)methyl]-6-oxidanylidene-purine-2-carbonitrile hydrochloride

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-[(4-cyanophenyl)methyl]-6-oxidanylidene-purine-2-carbonitrile hydrochloride Openeye Name: 8-(3-amino-1-piperidyl)-7-but-2-ynyl-1-[(4-cyanophenyl)methyl]-6-oxo-purine-2-carbonitrile hydrochloride CAS Name: 8-(3-amino-1-piperidinyl)-7-but-2-ynyl-1-[(4-cyanophenyl)methyl]-6-oxo-2-purinecarbonitrile hydrochloride IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-1-[(4-cyanophenyl)methyl]-6-oxopurine-2-carbonitrile hydrochloride Traditional Name: 8-(3-aminopiperidino)-7-but-2-ynyl-1-(4-cyanobenzyl)-6-keto-purine-2-carbonitrile hydrochloride Formula: C23H23ClN8O MolecularWeight: 462.93472

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)CC3=CC=C(C=C3)C#N)C#N)N=C1N4CCCC(C4)N.Cl

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)CC3=CC=C(C=C3)C#N)C#N)N=C1N4CCCC(C4)N.Cl

InChI

InChI=1S/C23H22N8O.ClH/c1-2-3-11-30-20-21(28-23(30)29-10-4-5-18(26)15-29)27-19(13-25)31(22(20)32)14-17-8-6-16(12-24)7-9-17;/h6-9,18H,4-5,10-11,14-15,26H2,1H3;1H