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

Systemtic Name: ethyl 4-azanyl-2-[3-[(3-methylphenyl)amino]-3-oxidanylidene-propyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[3-(3-methylanilino)-3-oxo-propyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[3-(3-methylanilino)-3-oxopropyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[3-(3-methylanilino)-3-oxopropyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[3-keto-3-(m-toluidino)propyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3S/c1-3-24-16(23)13-10-19-17(21-15(13)18)25-8-7-14(22)20-12-6-4-5-11(2)9-12/h4-6,9-10H,3,7-8H2,1-2H3,(H,20,22)(H2,18,19,21)