7-but-2-ynyl-1-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-8-piperazin-1-yl-purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-2-(4-methylthiazol-2-yl)sulfanyl-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-2-[(4-methyl-2-thiazolyl)thio]-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-2-[(4-methylthiazol-2-yl)thio]-8-piperazino-purin-6-one Formula: C18H21N7OS2 MolecularWeight: 415.53564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7OS2/c1-4-5-8-25-13-14(21-16(25)24-9-6-19-7-10-24)22-17(23(3)15(13)26)28-18-20-12(2)11-27-18/h11,19H,6-10H2,1-3H3