7-but-2-ynyl-9-methyl-6-piperazin-1-yl-2-prop-2-enoxy-purin-8-one

Systemtic Name: 7-but-2-ynyl-9-methyl-6-piperazin-1-yl-2-prop-2-enoxy-purin-8-one Openeye Name: 2-allyloxy-7-but-2-ynyl-9-methyl-6-piperazin-1-yl-purin-8-one CAS Name: 7-but-2-ynyl-9-methyl-6-(1-piperazinyl)-2-prop-2-enoxy-8-purinone IUPAC Name: 7-but-2-ynyl-9-methyl-6-piperazin-1-yl-2-prop-2-enoxypurin-8-one Traditional Name: 2-allyloxy-7-but-2-ynyl-9-methyl-6-piperazino-purin-8-one Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OCC=C)N(C1=O)C

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OCC=C)N(C1=O)C

InChI

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