ethyl 4-azanyl-2-[2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[4-(methylcarbamoyl)anilino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[4-(methylcarbamoyl)anilino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4S/c1-3-26-16(25)12-8-20-17(22-14(12)18)27-9-13(23)21-11-6-4-10(5-7-11)15(24)19-2/h4-8H,3,9H2,1-2H3,(H,19,24)(H,21,23)(H2,18,20,22)