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

Systemtic Name: 1,3-dimethyl-8-(3-methylbutylsulfanyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-isopentylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(3-methylbutylthio)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Traditional Name: 7-benzyl-8-(isoamylthio)-1,3-dimethyl-xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H24N4O2S/c1-13(2)10-11-26-18-20-16-15(17(24)22(4)19(25)21(16)3)23(18)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3