ethyl 4-azanyl-2-[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(1R)-1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(2R)-1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(1R)-2-keto-1-methyl-2-(4-morpholinoanilino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)S[C@H](C)C(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C20H25N5O4S/c1-3-29-19(27)16-12-22-20(24-17(16)21)30-13(2)18(26)23-14-4-6-15(7-5-14)25-8-10-28-11-9-25/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,26)(H2,21,22,24)/t13-/m1/s1