ethyl 6-azanyl-5-cyano-4-(2,3-dimethoxyphenyl)-2-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-4-(2,3-dimethoxyphenyl)-2-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-[(4-methyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-[[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-[[(4-methyl-6-morpholino-pyrimidin-2-yl)thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C27H31N5O6S MolecularWeight: 553.62994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=C(C(=CC=C2)OC)OC)C#N)N)CSC3=NC(=CC(=N3)N4CCOCC4)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=C(C(=CC=C2)OC)OC)C#N)N)CSC3=NC(=CC(=N3)N4CCOCC4)C

InChI

InChI=1S/C27H31N5O6S/c1-5-37-26(33)23-20(15-39-27-30-16(2)13-21(31-27)32-9-11-36-12-10-32)38-25(29)18(14-28)22(23)17-7-6-8-19(34-3)24(17)35-4/h6-8,13,22H,5,9-12,15,29H2,1-4H3