3-(furan-2-ylmethyl)-2-[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylic acid

Systemtic Name: 3-(furan-2-ylmethyl)-2-[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylic acid Openeye Name: 3-(2-furylmethyl)-2-[2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylic acid CAS Name: 3-(2-furanylmethyl)-2-[[1-(2-furanylmethylamino)-1-oxopropan-2-yl]thio]-4-oxo-7-quinazolinecarboxylic acid IUPAC Name: 3-(furan-2-ylmethyl)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazoline-7-carboxylic acid Traditional Name: 3-(2-furfuryl)-2-[[2-(2-furfurylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)SC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC4=CC=CO4

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)SC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C22H19N3O6S/c1-13(19(26)23-11-15-4-2-8-30-15)32-22-24-18-10-14(21(28)29)6-7-17(18)20(27)25(22)12-16-5-3-9-31-16/h2-10,13H,11-12H2,1H3,(H,23,26)(H,28,29)