methyl 4-oxidanylidene-3-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[4-(pyrrolidine-1-carbonyl)benzyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H21N3O4S/c1-29-21(28)16-8-9-17-18(12-16)23-22(30)25(20(17)27)13-14-4-6-15(7-5-14)19(26)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,30)