7-but-2-ynyl-2-ethoxy-6-piperazin-1-yl-9-prop-2-enyl-purin-8-one

Systemtic Name: 7-but-2-ynyl-2-ethoxy-6-piperazin-1-yl-9-prop-2-enyl-purin-8-one Openeye Name: 9-allyl-7-but-2-ynyl-2-ethoxy-6-piperazin-1-yl-purin-8-one CAS Name: 7-but-2-ynyl-2-ethoxy-6-(1-piperazinyl)-9-prop-2-enyl-8-purinone IUPAC Name: 7-but-2-ynyl-2-ethoxy-6-piperazin-1-yl-9-prop-2-enylpurin-8-one Traditional Name: 9-allyl-7-but-2-ynyl-2-ethoxy-6-piperazino-purin-8-one Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C(=N1)N3CCNCC3)N(C(=O)N2CC=C)CC#CC

Isomeric SMILES

CCOC1=NC2=C(C(=N1)N3CCNCC3)N(C(=O)N2CC=C)CC#CC

InChI

InChI=1S/C18H24N6O2/c1-4-7-11-23-14-15(22-12-8-19-9-13-22)20-17(26-6-3)21-16(14)24(10-5-2)18(23)25/h5,19H,2,6,8-13H2,1,3H3