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

Systemtic Name: 7-but-2-ynyl-2-methoxy-8-piperazin-1-yl-1-prop-2-enyl-purin-6-one Openeye Name: 1-allyl-7-but-2-ynyl-2-methoxy-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-2-methoxy-8-(1-piperazinyl)-1-prop-2-enyl-6-purinone IUPAC Name: 7-but-2-ynyl-2-methoxy-8-piperazin-1-yl-1-prop-2-enylpurin-6-one Traditional Name: 1-allyl-7-but-2-ynyl-2-methoxy-8-piperazino-purin-6-one Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2/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