7-but-2-ynyl-2-(dimethylamino)-1-phenethyl-8-piperazin-1-yl-purin-6-one hydrochloride

Systemtic Name: 7-but-2-ynyl-2-(dimethylamino)-1-phenethyl-8-piperazin-1-yl-purin-6-one hydrochloride Openeye Name: 7-but-2-ynyl-2-(dimethylamino)-1-phenethyl-8-piperazin-1-yl-purin-6-one hydrochloride CAS Name: 7-but-2-ynyl-2-(dimethylamino)-1-phenethyl-8-(1-piperazinyl)-6-purinone hydrochloride IUPAC Name: 7-but-2-ynyl-2-(dimethylamino)-1-phenethyl-8-piperazin-1-ylpurin-6-one hydrochloride Traditional Name: 7-but-2-ynyl-2-(dimethylamino)-1-phenethyl-8-piperazino-purin-6-one hydrochloride Formula: C23H30ClN7O MolecularWeight: 455.9836

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)CCC4=CC=CC=C4)N(C)C.Cl

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)CCC4=CC=CC=C4)N(C)C.Cl

InChI

InChI=1S/C23H29N7O.ClH/c1-4-5-14-29-19-20(26-23(29)28-16-12-24-13-17-28)25-22(27(2)3)30(21(19)31)15-11-18-9-7-6-8-10-18;/h6-10,24H,11-17H2,1-3H3;1H