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

Systemtic Name: 1-[3-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]propyl]-3,7-dimethyl-xanthine Formula: C23H22N6O4S MolecularWeight: 478.52358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5

InChI

InChI=1S/C23H22N6O4S/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/h3-5,7-9,11,14H,6,10,12-13H2,1-2H3