methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)amino]-2-[(3-fluorophenyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(3-fluorobenzyl)thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C23H20FN5O3S MolecularWeight: 465.500003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NN2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2SCC4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)NN2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2SCC4=CC(=CC=C4)F)C

InChI

InChI=1S/C23H20FN5O3S/c1-13-9-14(2)26-22(25-13)28-29-20(30)18-8-7-16(21(31)32-3)11-19(18)27-23(29)33-12-15-5-4-6-17(24)10-15/h4-11H,12H2,1-3H3,(H,25,26,28)