ethyl 4-[[(Z)-2-benzamido-3-diazanyl-3-oxidanylidene-prop-1-enyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[(Z)-2-benzamido-3-diazanyl-3-oxidanylidene-prop-1-enyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[[(Z)-2-benzamido-3-hydrazino-3-oxo-prop-1-enyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[(Z)-2-benzamido-3-hydrazinyl-3-oxoprop-1-enyl]amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(Z)-2-benzamido-3-hydrazinyl-3-oxoprop-1-enyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[[(Z)-2-benzamido-3-hydrazino-3-keto-prop-1-enyl]amino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC=C(C(=O)NN)NC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N/C=C(/C(=O)NN)\NC(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C18H20N6O4S/c1-3-28-17(27)12-9-21-18(29-2)23-14(12)20-10-13(16(26)24-19)22-15(25)11-7-5-4-6-8-11/h4-10H,3,19H2,1-2H3,(H,22,25)(H,24,26)(H,20,21,23)/b13-10-