7-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]ethyl]-1,3-dimethyl-xanthine Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H20N6O3S/c1-4-25-16(26)12-7-5-6-8-13(12)21-18(25)29-10-9-24-11-20-15-14(24)17(27)23(3)19(28)22(15)2/h5-8,11H,4,9-10H2,1-3H3