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

Systemtic Name: 7-but-2-ynyl-2-chloranyl-6-piperazin-1-yl-9-pyridin-3-yl-purin-8-one Openeye Name: 7-but-2-ynyl-2-chloro-6-piperazin-1-yl-9-(3-pyridyl)purin-8-one CAS Name: 7-but-2-ynyl-2-chloro-6-(1-piperazinyl)-9-(3-pyridinyl)-8-purinone IUPAC Name: 7-but-2-ynyl-2-chloro-6-piperazin-1-yl-9-pyridin-3-ylpurin-8-one Traditional Name: 7-but-2-ynyl-2-chloro-6-piperazino-9-(3-pyridyl)purin-8-one Formula: C18H18ClN7O MolecularWeight: 383.83482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN7O/c1-2-3-9-25-14-15(24-10-7-20-8-11-24)22-17(19)23-16(14)26(18(25)27)13-5-4-6-21-12-13/h4-6,12,20H,7-11H2,1H3