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

Systemtic Name: ethyl 4-azanyl-2-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[4-(cyanomethyl)anilino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O3S/c1-2-25-16(24)13-9-20-17(22-15(13)19)26-10-14(23)21-12-5-3-11(4-6-12)7-8-18/h3-6,9H,2,7,10H2,1H3,(H,21,23)(H2,19,20,22)