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

Systemtic Name: 7-but-2-ynyl-1-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-2-[(4-methyl-2-pyrimidinyl)thio]-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-2-[(4-methylpyrimidin-2-yl)thio]-8-piperazino-purin-6-one Formula: C19H22N8OS MolecularWeight: 410.49598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N8OS/c1-4-5-10-27-14-15(23-18(27)26-11-8-20-9-12-26)24-19(25(3)16(14)28)29-17-21-7-6-13(2)22-17/h6-7,20H,8-12H2,1-3H3