1,3-dimethyl-7-(phenylmethyl)-8-propan-2-ylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 7-benzyl-8-isopropylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 7-benzyl-8-(isopropylthio)-1,3-dimethyl-xanthine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)SC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H20N4O2S/c1-11(2)24-16-18-14-13(15(22)20(4)17(23)19(14)3)21(16)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3