ethyl 4-azanyl-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(3-methylanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(m-toluidino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C16H18N4O3S/c1-3-23-15(22)12-8-18-16(20-14(12)17)24-9-13(21)19-11-6-4-5-10(2)7-11/h4-8H,3,9H2,1-2H3,(H,19,21)(H2,17,18,20)