7-but-2-ynyl-2-methoxy-8-piperazin-1-yl-1-prop-2-enyl-purin-6-one hydrochloride

Systemtic Name: 7-but-2-ynyl-2-methoxy-8-piperazin-1-yl-1-prop-2-enyl-purin-6-one hydrochloride Openeye Name: 1-allyl-7-but-2-ynyl-2-methoxy-8-piperazin-1-yl-purin-6-one hydrochloride CAS Name: 7-but-2-ynyl-2-methoxy-8-(1-piperazinyl)-1-prop-2-enyl-6-purinone hydrochloride IUPAC Name: 7-but-2-ynyl-2-methoxy-8-piperazin-1-yl-1-prop-2-enylpurin-6-one hydrochloride Traditional Name: 1-allyl-7-but-2-ynyl-2-methoxy-8-piperazino-purin-6-one hydrochloride Formula: C17H23ClN6O2 MolecularWeight: 378.85652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2.ClH/c1-4-6-10-22-13-14(19-16(22)21-11-7-18-8-12-21)20-17(25-3)23(9-5-2)15(13)24;/h5,18H,2,7-12H2,1,3H3;1H