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

Systemtic Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-(3-phenylsulfanylpropyl)purine-2,6-dione Openeye Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-(3-phenylsulfanylpropyl)purine-2,6-dione CAS Name: 8-(2,6-dimethyl-4-morpholinyl)-3-methyl-7-[3-(phenylthio)propyl]purine-2,6-dione IUPAC Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-(3-phenylsulfanylpropyl)purine-2,6-dione Traditional Name: 8-(2,6-dimethylmorpholino)-3-methyl-7-[3-(phenylthio)propyl]xanthine Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=NC3=C(N2CCCSC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CN(CC(O1)C)C2=NC3=C(N2CCCSC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H27N5O3S/c1-14-12-25(13-15(2)29-14)20-22-18-17(19(27)23-21(28)24(18)3)26(20)10-7-11-30-16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,23,27,28)