7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(1,3-thiazol-2-ylsulfanyl)purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(1,3-thiazol-2-ylsulfanyl)purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-thiazol-2-ylsulfanyl-purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-2-(2-thiazolylthio)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(1,3-thiazol-2-ylsulfanyl)purin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-2-(thiazol-2-ylthio)purin-6-one Formula: C17H19N7OS2 MolecularWeight: 401.50906

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4=NC=CS4

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4=NC=CS4

InChI

InChI=1S/C17H19N7OS2/c1-3-4-8-24-12-13(20-15(24)23-9-5-18-6-10-23)21-16(22(2)14(12)25)27-17-19-7-11-26-17/h7,11,18H,5-6,8-10H2,1-2H3