7-butyl-8-[(3-methoxyphenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-[(3-methoxyphenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-butyl-8-[(3-methoxyphenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-butyl-8-[(3-methoxyphenyl)methylthio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-butyl-8-[(3-methoxyphenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-butyl-8-(m-anisylthio)-1,3-dimethyl-xanthine Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC3=CC(=CC=C3)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC3=CC(=CC=C3)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H24N4O3S/c1-5-6-10-23-15-16(21(2)19(25)22(3)17(15)24)20-18(23)27-12-13-8-7-9-14(11-13)26-4/h7-9,11H,5-6,10,12H2,1-4H3