7-but-2-ynyl-9-(2-chloranylpyridin-4-yl)-6-piperazin-1-yl-purin-8-one

Systemtic Name: 7-but-2-ynyl-9-(2-chloranylpyridin-4-yl)-6-piperazin-1-yl-purin-8-one Openeye Name: 7-but-2-ynyl-9-(2-chloro-4-pyridyl)-6-piperazin-1-yl-purin-8-one CAS Name: 7-but-2-ynyl-9-(2-chloro-4-pyridinyl)-6-(1-piperazinyl)-8-purinone IUPAC Name: 7-but-2-ynyl-9-(2-chloropyridin-4-yl)-6-piperazin-1-ylpurin-8-one Traditional Name: 7-but-2-ynyl-9-(2-chloro-4-pyridyl)-6-piperazino-purin-8-one Formula: C18H18ClN7O MolecularWeight: 383.83482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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