7-but-2-ynyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-methyl-8-piperazin-1-yl-purin-6-one

Systemtic Name: 7-but-2-ynyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-methyl-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-methyl-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-methyl-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-methyl-8-piperazino-purin-6-one Formula: C20H24N8OS MolecularWeight: 424.52256

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4=NC(=CC(=N4)C)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C20H24N8OS/c1-5-6-9-28-15-16(24-19(28)27-10-7-21-8-11-27)25-20(26(4)17(15)29)30-18-22-13(2)12-14(3)23-18/h12,21H,7-11H2,1-4H3