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

Systemtic Name: (2R)-2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-phenyl-propanamide Openeye Name: (2R)-2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-phenyl-propanamide CAS Name: (2R)-2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-N-phenylpropanamide IUPAC Name: (2R)-2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide Traditional Name: (2R)-2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-phenyl-propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)SC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

InChI

InChI=1S/C21H22N4O2S/c1-15(20(27)23-17-10-6-3-7-11-17)28-21-24-19(26)14-18(22)25(21)13-12-16-8-4-2-5-9-16/h2-11,14-15H,12-13,22H2,1H3,(H,23,27)/t15-/m1/s1