ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(allylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-(prop-2-enylamino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate Traditional Name: 4-(allylamino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C11H15N3O2S MolecularWeight: 253.3207

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC=C)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC=C)SC

InChI

InChI=1S/C11H15N3O2S/c1-4-6-12-9-8(10(15)16-5-2)7-13-11(14-9)17-3/h4,7H,1,5-6H2,2-3H3,(H,12,13,14)