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

Systemtic Name: 3,7-dimethyl-1-[3-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylpropyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(4-oxo-3-propyl-quinazolin-2-yl)sulfanylpropyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[(4-oxo-3-propyl-2-quinazolinyl)thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropyl]purine-2,6-dione Traditional Name: 1-[3-[(4-keto-3-propyl-quinazolin-2-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C21H24N6O3S/c1-4-10-26-18(28)14-8-5-6-9-15(14)23-20(26)31-12-7-11-27-19(29)16-17(22-13-24(16)2)25(3)21(27)30/h5-6,8-9,13H,4,7,10-12H2,1-3H3