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

Systemtic Name: 8-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-methyl-7-[3-(4-methylpyrimidin-2-yl)sulfanylpropyl]purine-2,6-dione Openeye Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-[3-(4-methylpyrimidin-2-yl)sulfanylpropyl]purine-2,6-dione CAS Name: 8-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3-methyl-7-[3-[(4-methyl-2-pyrimidinyl)thio]propyl]purine-2,6-dione IUPAC Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-[3-(4-methylpyrimidin-2-yl)sulfanylpropyl]purine-2,6-dione Traditional Name: 8-[4-(2-furoyl)piperazino]-3-methyl-7-[3-[(4-methylpyrimidin-2-yl)thio]propyl]xanthine Formula: C23H26N8O4S MolecularWeight: 510.56874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCCCN2C3=C(N=C2N4CCN(CC4)C(=O)C5=CC=CO5)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NC(=NC=C1)SCCCN2C3=C(N=C2N4CCN(CC4)C(=O)C5=CC=CO5)N(C(=O)NC3=O)C

InChI

InChI=1S/C23H26N8O4S/c1-15-6-7-24-21(25-15)36-14-4-8-31-17-18(28(2)23(34)27-19(17)32)26-22(31)30-11-9-29(10-12-30)20(33)16-5-3-13-35-16/h3,5-7,13H,4,8-12,14H2,1-2H3,(H,27,32,34)