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

Systemtic Name: 3,7-dimethyl-1-[3-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylpropyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropyl]purine-2,6-dione Traditional Name: 1-[3-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]propyl]-3,7-dimethyl-xanthine Formula: C23H26N6O4S MolecularWeight: 482.55534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4C(=O)N3CC5CCCO5

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4C(=O)N3CC5CCCO5

InChI

InChI=1S/C23H26N6O4S/c1-26-14-24-19-18(26)21(31)28(23(32)27(19)2)10-6-12-34-22-25-17-9-4-3-8-16(17)20(30)29(22)13-15-7-5-11-33-15/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3