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

Systemtic Name: ethyl 6-azanyl-5-cyano-4-(2,3-dimethoxyphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-[[(4-phenyl-2-pyrimidinyl)thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-[[(4-phenylpyrimidin-2-yl)thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C28H26N4O5S MolecularWeight: 530.59484

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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)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=C(C(=CC=C2)OC)OC)C#N)N)CSC3=NC=CC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C28H26N4O5S/c1-4-36-27(33)24-22(16-38-28-31-14-13-20(32-28)17-9-6-5-7-10-17)37-26(30)19(15-29)23(24)18-11-8-12-21(34-2)25(18)35-3/h5-14,23H,4,16,30H2,1-3H3