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

Systemtic Name: 8-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-methyl-7-[2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-propyl]purine-2,6-dione Openeye Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-[2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-propyl]purine-2,6-dione CAS Name: 8-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3-methyl-7-[2-methyl-3-[(4-methyl-2-pyrimidinyl)thio]propyl]purine-2,6-dione IUPAC Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-[2-methyl-3-(4-methylpyrimidin-2-yl)sulfanylpropyl]purine-2,6-dione Traditional Name: 8-[4-(2-furoyl)piperazino]-3-methyl-7-[2-methyl-3-[(4-methylpyrimidin-2-yl)thio]propyl]xanthine Formula: C24H28N8O4S MolecularWeight: 524.59532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(C)CN2C3=C(N=C2N4CCN(CC4)C(=O)C5=CC=CO5)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NC(=NC=C1)SCC(C)CN2C3=C(N=C2N4CCN(CC4)C(=O)C5=CC=CO5)N(C(=O)NC3=O)C

InChI

InChI=1S/C24H28N8O4S/c1-15(14-37-22-25-7-6-16(2)26-22)13-32-18-19(29(3)24(35)28-20(18)33)27-23(32)31-10-8-30(9-11-31)21(34)17-5-4-12-36-17/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,28,33,35)