ethyl 4-azanyl-2-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-morpholinoanilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[4-(4-morpholinyl)anilino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(4-morpholinoanilino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C19H23N5O4S/c1-2-28-18(26)15-11-21-19(23-17(15)20)29-12-16(25)22-13-3-5-14(6-4-13)24-7-9-27-10-8-24/h3-6,11H,2,7-10,12H2,1H3,(H,22,25)(H2,20,21,23)