ethyl 4-azanyl-2-[2-[[3-methyl-4-(propanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[[3-methyl-4-(propanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[3-methyl-4-(propanoylamino)anilino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[3-methyl-4-(1-oxopropylamino)anilino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[3-methyl-4-(propanoylamino)anilino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(3-methyl-4-propionamido-anilino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC)C

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC)C

InChI

InChI=1S/C19H23N5O4S/c1-4-15(25)23-14-7-6-12(8-11(14)3)22-16(26)10-29-19-21-9-13(17(20)24-19)18(27)28-5-2/h6-9H,4-5,10H2,1-3H3,(H,22,26)(H,23,25)(H2,20,21,24)