7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(thiophen-2-ylmethylsulfanyl)purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(thiophen-2-ylmethylsulfanyl)purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(2-thienylmethylsulfanyl)purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-2-(thiophen-2-ylmethylthio)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(thiophen-2-ylmethylsulfanyl)purin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-2-(2-thenylthio)purin-6-one Formula: C19H22N6OS2 MolecularWeight: 414.54758

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SCC4=CC=CS4

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SCC4=CC=CS4

InChI

InChI=1S/C19H22N6OS2/c1-3-4-9-25-15-16(21-18(25)24-10-7-20-8-11-24)22-19(23(2)17(15)26)28-13-14-6-5-12-27-14/h5-6,12,20H,7-11,13H2,1-2H3