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

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 8-isopropylsulfanyl-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenylmethyl)-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 8-(isopropylthio)-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)SC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H22N4O2S/c1-13(2)28-20-22-18-17(19(26)24(4)21(27)23(18)3)25(20)12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11,13H,12H2,1-4H3