(2S)-2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: (2S)-2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: (2S)-2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: (2S)-2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: (2S)-2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: (2S)-2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)SC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

InChI

InChI=1S/C19H21N5O3S/c1-12-10-16(23-27-12)21-18(26)13(2)28-19-22-17(25)11-15(20)24(19)9-8-14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,20H2,1-2H3,(H,21,23,26)/t13-/m0/s1