ethyl 4-azanyl-2-[2-[(3-chloranyl-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(3-chloranyl-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(3-chloro-4-morpholino-anilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[3-chloro-4-(4-morpholinyl)anilino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(3-chloro-4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(3-chloro-4-morpholino-anilino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H22ClN5O4S MolecularWeight: 451.92708

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN5O4S/c1-2-29-18(27)13-10-22-19(24-17(13)21)30-11-16(26)23-12-3-4-15(14(20)9-12)25-5-7-28-8-6-25/h3-4,9-10H,2,5-8,11H2,1H3,(H,23,26)(H2,21,22,24)