2-[[8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-2-methoxy-6-oxidanylidene-purin-1-yl]methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 2-[[8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-2-methoxy-6-oxidanylidene-purin-1-yl]methyl]benzenecarbonitrile hydrochloride Openeye Name: 2-[[8-(3-amino-1-piperidyl)-7-but-2-ynyl-2-methoxy-6-oxo-purin-1-yl]methyl]benzonitrile hydrochloride CAS Name: 2-[[8-(3-amino-1-piperidinyl)-7-but-2-ynyl-2-methoxy-6-oxo-1-purinyl]methyl]benzonitrile hydrochloride IUPAC Name: 2-[[8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-2-methoxy-6-oxopurin-1-yl]methyl]benzonitrile hydrochloride Traditional Name: 2-[[8-(3-aminopiperidino)-7-but-2-ynyl-6-keto-2-methoxy-purin-1-yl]methyl]benzonitrile hydrochloride Formula: C23H26ClN7O2 MolecularWeight: 467.95124

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N=C(N(C2=O)CC4=CC=CC=C4C#N)OC.Cl

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N=C(N(C2=O)CC4=CC=CC=C4C#N)OC.Cl

InChI

InChI=1S/C23H25N7O2.ClH/c1-3-4-12-29-19-20(26-22(29)28-11-7-10-18(25)15-28)27-23(32-2)30(21(19)31)14-17-9-6-5-8-16(17)13-24;/h5-6,8-9,18H,7,10-12,14-15,25H2,1-2H3;1H