7-but-2-ynyl-9-(1-methyl-6-oxidanylidene-pyridin-3-yl)-6-piperazin-1-yl-purin-8-one

Systemtic Name: 7-but-2-ynyl-9-(1-methyl-6-oxidanylidene-pyridin-3-yl)-6-piperazin-1-yl-purin-8-one Openeye Name: 7-but-2-ynyl-9-(1-methyl-6-oxo-3-pyridyl)-6-piperazin-1-yl-purin-8-one CAS Name: 7-but-2-ynyl-9-(1-methyl-6-oxo-3-pyridinyl)-6-(1-piperazinyl)-8-purinone IUPAC Name: 7-but-2-ynyl-9-(1-methyl-6-oxopyridin-3-yl)-6-piperazin-1-ylpurin-8-one Traditional Name: 7-but-2-ynyl-9-(6-keto-1-methyl-3-pyridyl)-6-piperazino-purin-8-one Formula: C19H21N7O2 MolecularWeight: 379.41574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N7O2/c1-3-4-9-25-16-17(24-10-7-20-8-11-24)21-13-22-18(16)26(19(25)28)14-5-6-15(27)23(2)12-14/h5-6,12-13,20H,7-11H2,1-2H3