7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-1-prop-2-enyl-purine-2-carbonitrile hydrochloride

Systemtic Name: 7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-1-prop-2-enyl-purine-2-carbonitrile hydrochloride Openeye Name: 1-allyl-7-but-2-ynyl-6-oxo-8-piperazin-1-yl-purine-2-carbonitrile hydrochloride CAS Name: 7-but-2-ynyl-6-oxo-8-(1-piperazinyl)-1-prop-2-enyl-2-purinecarbonitrile hydrochloride IUPAC Name: 7-but-2-ynyl-6-oxo-8-piperazin-1-yl-1-prop-2-enylpurine-2-carbonitrile hydrochloride Traditional Name: 1-allyl-7-but-2-ynyl-6-keto-8-piperazino-purine-2-carbonitrile hydrochloride Formula: C17H20ClN7O MolecularWeight: 373.84

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N7O.ClH/c1-3-5-9-24-14-15(21-17(24)22-10-6-19-7-11-22)20-13(12-18)23(8-4-2)16(14)25;/h4,19H,2,6-11H2,1H3;1H