7-but-2-ynyl-1-(2-methoxyethyl)-6-oxidanylidene-8-piperazin-1-yl-purine-2-carbonitrile hydrochloride

Systemtic Name: 7-but-2-ynyl-1-(2-methoxyethyl)-6-oxidanylidene-8-piperazin-1-yl-purine-2-carbonitrile hydrochloride Openeye Name: 7-but-2-ynyl-1-(2-methoxyethyl)-6-oxo-8-piperazin-1-yl-purine-2-carbonitrile hydrochloride CAS Name: 7-but-2-ynyl-1-(2-methoxyethyl)-6-oxo-8-(1-piperazinyl)-2-purinecarbonitrile hydrochloride IUPAC Name: 7-but-2-ynyl-1-(2-methoxyethyl)-6-oxo-8-piperazin-1-ylpurine-2-carbonitrile hydrochloride Traditional Name: 7-but-2-ynyl-6-keto-1-(2-methoxyethyl)-8-piperazino-purine-2-carbonitrile hydrochloride Formula: C17H22ClN7O2 MolecularWeight: 391.85528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N7O2.ClH/c1-3-4-7-24-14-15(21-17(24)22-8-5-19-6-9-22)20-13(12-18)23(16(14)25)10-11-26-2;/h19H,5-11H2,1-2H3;1H