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

Systemtic Name: 8-ethylsulfanyl-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-ethylsulfanyl-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(ethylthio)-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-ethylsulfanyl-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(ethylthio)-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCSC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H20N4O2S/c1-4-27-19-21-17-16(18(25)23(3)20(26)22(17)2)24(19)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,4,12H2,1-3H3