ethyl 4-[(4-chlorophenyl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]pyrimidine-5-carboxylate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]-2-[(4-methyl-2-quinazolinyl)amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]pyrimidine-5-carboxylate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]-2-[(4-methylquinazolin-2-yl)amino]pyrimidine-5-carboxylic acid ethyl ester Formula: C23H20ClN5O2S MolecularWeight: 465.9552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1CSC2=CC=C(C=C2)Cl)NC3=NC4=CC=CC=C4C(=N3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1CSC2=CC=C(C=C2)Cl)NC3=NC4=CC=CC=C4C(=N3)C

InChI

InChI=1S/C23H20ClN5O2S/c1-3-31-21(30)18-12-25-22(28-20(18)13-32-16-10-8-15(24)9-11-16)29-23-26-14(2)17-6-4-5-7-19(17)27-23/h4-12H,3,13H2,1-2H3,(H,25,26,27,28,29)