methyl 3-(furan-2-ylmethyl)-2-[2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(furan-2-ylmethyl)-2-[2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-furylmethyl)-2-[2-[1-(o-tolyl)ethylamino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-furanylmethyl)-2-[[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-ylmethyl)-2-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-furfuryl)-4-keto-2-[[2-keto-2-[1-(o-tolyl)ethylamino]ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4

Isomeric SMILES

CC1=CC=CC=C1C(C)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C26H25N3O5S/c1-16-7-4-5-9-20(16)17(2)27-23(30)15-35-26-28-22-13-18(25(32)33-3)10-11-21(22)24(31)29(26)14-19-8-6-12-34-19/h4-13,17H,14-15H2,1-3H3,(H,27,30)