7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-pyridin-4-ylsulfanyl-purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-pyridin-4-ylsulfanyl-purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(4-pyridylsulfanyl)purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-2-(pyridin-4-ylthio)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-pyridin-4-ylsulfanylpurin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-2-(4-pyridylthio)purin-6-one Formula: C19H21N7OS MolecularWeight: 395.48134

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4=CC=NC=C4

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4=CC=NC=C4

InChI

InChI=1S/C19H21N7OS/c1-3-4-11-26-15-16(22-18(26)25-12-9-21-10-13-25)23-19(24(2)17(15)27)28-14-5-7-20-8-6-14/h5-8,21H,9-13H2,1-2H3