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

Systemtic Name: 3,7-dimethyl-1-[3-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[(4-oxo-3-phenyl-2-quinazolinyl)thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]purine-2,6-dione Traditional Name: 1-[3-[(4-keto-3-phenyl-quinazolin-2-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C24H22N6O3S MolecularWeight: 474.53488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C24H22N6O3S/c1-27-15-25-20-19(27)22(32)29(24(33)28(20)2)13-8-14-34-23-26-18-12-7-6-11-17(18)21(31)30(23)16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3