7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-sulfanylidene-3H-purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-sulfanylidene-3H-purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-thioxo-3H-purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-2-sulfanylidene-3H-purin-6-one IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-sulfanylidene-3H-purin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-2-thioxo-3H-purin-6-one Formula: C14H18N6OS MolecularWeight: 318.39732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6OS/c1-3-4-7-20-10-11(17-14(22)18(2)12(10)21)16-13(20)19-8-5-15-6-9-19/h15H,5-9H2,1-2H3,(H,17,22)