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

Systemtic Name: methyl 2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3CC3)CC4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3CC3)CC4=CC=CO4

InChI

InChI=1S/C20H19N3O5S/c1-27-19(26)12-4-7-15-16(9-12)22-20(29-11-17(24)21-13-5-6-13)23(18(15)25)10-14-3-2-8-28-14/h2-4,7-9,13H,5-6,10-11H2,1H3,(H,21,24)