methyl 2-[1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[1-[(4-fluorophenyl)carbamoyl]propylsulfanyl]-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[1-(4-fluoroanilino)-1-oxobutan-2-yl]thio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-fluoroanilino)-1-oxobutan-2-yl]sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[1-[(4-fluorophenyl)carbamoyl]propylthio]-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C25H22FN3O5S MolecularWeight: 495.522683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C25H22FN3O5S/c1-3-21(22(30)27-17-9-7-16(26)8-10-17)35-25-28-20-13-15(24(32)33-2)6-11-19(20)23(31)29(25)14-18-5-4-12-34-18/h4-13,21H,3,14H2,1-2H3,(H,27,30)