8-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione

Systemtic Name: 8-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione Openeye Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione CAS Name: 8-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3-methyl-7-[2-[(4-methyl-2-pyrimidinyl)thio]ethyl]purine-2,6-dione IUPAC Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione Traditional Name: 8-[4-(2-furoyl)piperazino]-3-methyl-7-[2-[(4-methylpyrimidin-2-yl)thio]ethyl]xanthine Formula: C22H24N8O4S MolecularWeight: 496.54216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCN(CC4)C(=O)C5=CC=CO5)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCN(CC4)C(=O)C5=CC=CO5)N(C(=O)NC3=O)C

InChI

InChI=1S/C22H24N8O4S/c1-14-5-6-23-20(24-14)35-13-11-30-16-17(27(2)22(33)26-18(16)31)25-21(30)29-9-7-28(8-10-29)19(32)15-4-3-12-34-15/h3-6,12H,7-11,13H2,1-2H3,(H,26,31,33)