(4R)-2-azanyl-6-(3-imidazol-1-ylpropyl)-7-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4H-pyrano[3,2-c]pyridine-3-carbonitrile

Systemtic Name: (4R)-2-azanyl-6-(3-imidazol-1-ylpropyl)-7-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4H-pyrano[3,2-c]pyridine-3-carbonitrile Openeye Name: (4R)-2-amino-6-(3-imidazol-1-ylpropyl)-7-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile CAS Name: (4R)-2-amino-6-[3-(1-imidazolyl)propyl]-7-methyl-4-[4-(methylthio)phenyl]-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile IUPAC Name: (4R)-2-amino-6-(3-imidazol-1-ylpropyl)-7-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile Traditional Name: (4R)-2-amino-6-(3-imidazol-1-ylpropyl)-5-keto-7-methyl-4-[4-(methylthio)phenyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile Formula: C23H23N5O2S MolecularWeight: 433.52602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)SC)C(=O)N1CCCN4C=CN=C4

Isomeric SMILES

CC1=CC2=C([C@@H](C(=C(O2)N)C#N)C3=CC=C(C=C3)SC)C(=O)N1CCCN4C=CN=C4

InChI

InChI=1S/C23H23N5O2S/c1-15-12-19-21(23(29)28(15)10-3-9-27-11-8-26-14-27)20(18(13-24)22(25)30-19)16-4-6-17(31-2)7-5-16/h4-8,11-12,14,20H,3,9-10,25H2,1-2H3/t20-/m1/s1