methyl 7-(4-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-yl-quinazoline-6-carboxylate

Systemtic Name: methyl 7-(4-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-yl-quinazoline-6-carboxylate Openeye Name: methyl 7-(4-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-yl-quinazoline-6-carboxylate CAS Name: 7-(4-fluorophenyl)-2-(methylthio)-4-(1-pyrrolidinyl)-6-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 7-(4-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylquinazoline-6-carboxylate Traditional Name: 7-(4-fluorophenyl)-2-(methylthio)-4-pyrrolidino-quinazoline-6-carboxylic acid methyl ester Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C2C(=C1)C(=NC(=N2)SC)N3CCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(C=C2C(=C1)C(=NC(=N2)SC)N3CCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3O2S/c1-27-20(26)16-11-17-18(12-15(16)13-5-7-14(22)8-6-13)23-21(28-2)24-19(17)25-9-3-4-10-25/h5-8,11-12H,3-4,9-10H2,1-2H3