8-[3-(3,4-dimethylphenyl)-2-oxidanylidene-propyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[3-(3,4-dimethylphenyl)-2-oxidanylidene-propyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[3-(3,4-dimethylphenyl)-2-oxo-propyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[3-(3,4-dimethylphenyl)-2-oxopropyl]thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[3-(3,4-dimethylphenyl)-2-oxopropyl]sulfanyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[[3-(3,4-dimethylphenyl)-2-keto-propyl]thio]-1,3,7-trimethyl-xanthine Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C19H22N4O3S/c1-11-6-7-13(8-12(11)2)9-14(24)10-27-18-20-16-15(21(18)3)17(25)23(5)19(26)22(16)4/h6-8H,9-10H2,1-5H3