[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)anilino)-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethyl] ester Formula: C17H17ClN4O4S MolecularWeight: 408.85928

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2)Cl

InChI

InChI=1S/C17H17ClN4O4S/c1-27-17-20-9-12(18)15(21-17)16(25)26-10-14(24)22(8-7-13(19)23)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H2,19,23)