ethyl 4-azanyl-2-[(4-tert-butylphenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(4-tert-butylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(4-tert-butylphenyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(4-tert-butylphenyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-tert-butylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(4-tert-butylbenzyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S/c1-5-23-16(22)14-10-20-17(21-15(14)19)24-11-12-6-8-13(9-7-12)18(2,3)4/h6-10H,5,11H2,1-4H3,(H2,19,20,21)