(2R)-2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(2-cyanophenyl)propanamide

Systemtic Name: (2R)-2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(2-cyanophenyl)propanamide Openeye Name: (2R)-2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(2-cyanophenyl)propanamide CAS Name: (2R)-2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-N-(2-cyanophenyl)propanamide IUPAC Name: (2R)-2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-(2-cyanophenyl)propanamide Traditional Name: (2R)-2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-(2-cyanophenyl)propionamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)SC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

InChI

InChI=1S/C22H21N5O2S/c1-15(21(29)25-18-10-6-5-9-17(18)14-23)30-22-26-20(28)13-19(24)27(22)12-11-16-7-3-2-4-8-16/h2-10,13,15H,11-12,24H2,1H3,(H,25,29)/t15-/m1/s1