7-but-2-ynyl-6-piperazin-1-yl-9-pyridin-3-yl-purin-8-one

Systemtic Name: 7-but-2-ynyl-6-piperazin-1-yl-9-pyridin-3-yl-purin-8-one Openeye Name: 7-but-2-ynyl-6-piperazin-1-yl-9-(3-pyridyl)purin-8-one CAS Name: 7-but-2-ynyl-6-(1-piperazinyl)-9-(3-pyridinyl)-8-purinone IUPAC Name: 7-but-2-ynyl-6-piperazin-1-yl-9-pyridin-3-ylpurin-8-one Traditional Name: 7-but-2-ynyl-6-piperazino-9-(3-pyridyl)purin-8-one Formula: C18H19N7O MolecularWeight: 349.38976

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=CN=C2N3CCNCC3)N(C1=O)C4=CN=CC=C4

Isomeric SMILES

CC#CCN1C2=C(N=CN=C2N3CCNCC3)N(C1=O)C4=CN=CC=C4

InChI

InChI=1S/C18H19N7O/c1-2-3-9-24-15-16(23-10-7-19-8-11-23)21-13-22-17(15)25(18(24)26)14-5-4-6-20-12-14/h4-6,12-13,19H,7-11H2,1H3