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

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylamino)purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(2-pyridylamino)purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-2-(2-pyridinylamino)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylamino)purin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-2-(2-pyridylamino)purin-6-one Formula: C19H22N8O MolecularWeight: 378.43098

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)C)NC3=CC=CC=N3)N=C1N4CCNCC4

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)C)NC3=CC=CC=N3)N=C1N4CCNCC4

InChI

InChI=1S/C19H22N8O/c1-3-4-11-27-15-16(24-19(27)26-12-9-20-10-13-26)23-18(25(2)17(15)28)22-14-7-5-6-8-21-14/h5-8,20H,9-13H2,1-2H3,(H,21,22,23)