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

Systemtic Name: ethyl 4-azanyl-2-[2-[2-(3-methylphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-(3-methylbenzoyl)hydrazino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[[(3-methylphenyl)-oxomethyl]hydrazo]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-(3-methylbenzoyl)hydrazinyl]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(N'-m-toluoylhydrazino)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)NNC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

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

InChI

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