8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione

Systemtic Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione Openeye Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione CAS Name: 8-[4-(2-hydroxyethyl)-1-piperazinyl]-1,3-dimethyl-7-[2-[(4-methyl-2-pyrimidinyl)thio]ethyl]purine-2,6-dione IUPAC Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione Traditional Name: 8-[4-(2-hydroxyethyl)piperazino]-1,3-dimethyl-7-[2-[(4-methylpyrimidin-2-yl)thio]ethyl]xanthine Formula: C20H28N8O3S MolecularWeight: 460.55312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCN(CC4)CCO)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCN(CC4)CCO)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C20H28N8O3S/c1-14-4-5-21-18(22-14)32-13-11-28-15-16(24(2)20(31)25(3)17(15)30)23-19(28)27-8-6-26(7-9-27)10-12-29/h4-5,29H,6-13H2,1-3H3