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

Systemtic Name: 1,3-dimethyl-8-(2-methylpropylsulfanyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-isobutylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(2-methylpropylthio)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Traditional Name: 7-benzyl-8-(isobutylthio)-1,3-dimethyl-xanthine Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H22N4O2S/c1-12(2)11-25-17-19-15-14(16(23)21(4)18(24)20(15)3)22(17)10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3