ethyl 4-azanyl-2-[(Z)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(Z)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(Z)-3-oxo-3-(p-tolyl)prop-1-enyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(Z)-3-(4-methylphenyl)-3-oxoprop-1-enyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(Z)-3-(4-methylphenyl)-3-oxoprop-1-enyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(Z)-3-keto-3-(p-tolyl)prop-1-enyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)S/C=C\C(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H17N3O3S/c1-3-23-16(22)13-10-19-17(20-15(13)18)24-9-8-14(21)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H2,18,19,20)/b9-8-