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

Systemtic Name: 8-(3-azanylpyrrolidin-1-yl)-7-but-2-ynyl-1-methyl-6-oxidanylidene-purine-2-carbonitrile hydrochloride Openeye Name: 8-(3-aminopyrrolidin-1-yl)-7-but-2-ynyl-1-methyl-6-oxo-purine-2-carbonitrile hydrochloride CAS Name: 8-(3-amino-1-pyrrolidinyl)-7-but-2-ynyl-1-methyl-6-oxo-2-purinecarbonitrile hydrochloride IUPAC Name: 8-(3-aminopyrrolidin-1-yl)-7-but-2-ynyl-1-methyl-6-oxopurine-2-carbonitrile hydrochloride Traditional Name: 8-(3-aminopyrrolidino)-7-but-2-ynyl-6-keto-1-methyl-purine-2-carbonitrile hydrochloride Formula: C15H18ClN7O MolecularWeight: 347.80272

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)C)C#N)N=C1N3CCC(C3)N.Cl

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)C)C#N)N=C1N3CCC(C3)N.Cl

InChI

InChI=1S/C15H17N7O.ClH/c1-3-4-6-22-12-13(18-11(8-16)20(2)14(12)23)19-15(22)21-7-5-10(17)9-21;/h10H,5-7,9,17H2,1-2H3;1H