ethyl 4-azanyl-2-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(3-anilino-3-oxo-propyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(3-anilino-3-oxopropyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(3-anilino-3-oxopropyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(3-anilino-3-keto-propyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3S/c1-2-23-15(22)12-10-18-16(20-14(12)17)24-9-8-13(21)19-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,19,21)(H2,17,18,20)