ethyl 4-azanyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(4-isopropylphenyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(4-propan-2-ylphenyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-propan-2-ylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(4-isopropylbenzyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H21N3O2S MolecularWeight: 331.43254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C17H21N3O2S/c1-4-22-16(21)14-9-19-17(20-15(14)18)23-10-12-5-7-13(8-6-12)11(2)3/h5-9,11H,4,10H2,1-3H3,(H2,18,19,20)