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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CC(CNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O5S/c1-17(18-7-4-3-5-8-18)14-27-23(30)16-35-26-28-22-13-19(25(32)33-2)10-11-21(22)24(31)29(26)15-20-9-6-12-34-20/h3-13,17H,14-16H2,1-2H3,(H,27,30)