1,7-bis(but-2-ynyl)-2-methoxy-8-piperazin-1-yl-purin-6-one hydrochloride

Systemtic Name: 1,7-bis(but-2-ynyl)-2-methoxy-8-piperazin-1-yl-purin-6-one hydrochloride Openeye Name: 1,7-bis(but-2-ynyl)-2-methoxy-8-piperazin-1-yl-purin-6-one hydrochloride CAS Name: 1,7-bis(but-2-ynyl)-2-methoxy-8-(1-piperazinyl)-6-purinone hydrochloride IUPAC Name: 1,7-bis(but-2-ynyl)-2-methoxy-8-piperazin-1-ylpurin-6-one hydrochloride Traditional Name: 1,7-bis(but-2-ynyl)-2-methoxy-8-piperazino-purin-6-one hydrochloride Formula: C18H23ClN6O2 MolecularWeight: 390.86722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O2.ClH/c1-4-6-10-23-14-15(20-17(23)22-12-8-19-9-13-22)21-18(26-3)24(16(14)25)11-7-5-2;/h19H,8-13H2,1-3H3;1H