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

Systemtic Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione Openeye Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione CAS Name: 8-(2,6-dimethyl-4-morpholinyl)-3-methyl-7-[3-(2-pyrimidinylthio)propyl]purine-2,6-dione IUPAC Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione Traditional Name: 8-(2,6-dimethylmorpholino)-3-methyl-7-[3-(2-pyrimidylthio)propyl]xanthine Formula: C19H25N7O3S MolecularWeight: 431.5119

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=NC3=C(N2CCCSC4=NC=CC=N4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CN(CC(O1)C)C2=NC3=C(N2CCCSC4=NC=CC=N4)C(=O)NC(=O)N3C

InChI

InChI=1S/C19H25N7O3S/c1-12-10-25(11-13(2)29-12)18-22-15-14(16(27)23-19(28)24(15)3)26(18)8-5-9-30-17-20-6-4-7-21-17/h4,6-7,12-13H,5,8-11H2,1-3H3,(H,23,27,28)