7-but-2-ynyl-2-chloranyl-6-piperazin-1-yl-9-thiophen-3-yl-purin-8-one

Systemtic Name: 7-but-2-ynyl-2-chloranyl-6-piperazin-1-yl-9-thiophen-3-yl-purin-8-one Openeye Name: 7-but-2-ynyl-2-chloro-6-piperazin-1-yl-9-(3-thienyl)purin-8-one CAS Name: 7-but-2-ynyl-2-chloro-6-(1-piperazinyl)-9-(3-thiophenyl)-8-purinone IUPAC Name: 7-but-2-ynyl-2-chloro-6-piperazin-1-yl-9-thiophen-3-ylpurin-8-one Traditional Name: 7-but-2-ynyl-2-chloro-6-piperazino-9-(3-thienyl)purin-8-one Formula: C17H17ClN6OS MolecularWeight: 388.87448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN6OS/c1-2-3-7-23-13-14(22-8-5-19-6-9-22)20-16(18)21-15(13)24(17(23)25)12-4-10-26-11-12/h4,10-11,19H,5-9H2,1H3