8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione

Systemtic Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Openeye Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione CAS Name: 8-(2,6-dimethyl-4-morpholinyl)-3-methyl-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione IUPAC Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Traditional Name: 8-(2,6-dimethylmorpholino)-3-methyl-7-[2-(2-pyrimidylthio)ethyl]xanthine Formula: C18H23N7O3S MolecularWeight: 417.48532

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=NC3=C(N2CCSC4=NC=CC=N4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CN(CC(O1)C)C2=NC3=C(N2CCSC4=NC=CC=N4)C(=O)NC(=O)N3C

InChI

InChI=1S/C18H23N7O3S/c1-11-9-24(10-12(2)28-11)17-21-14-13(15(26)22-18(27)23(14)3)25(17)7-8-29-16-19-5-4-6-20-16/h4-6,11-12H,7-10H2,1-3H3,(H,22,26,27)