(2R)-2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(5-bromanylpyridin-2-yl)propanamide

Systemtic Name: (2R)-2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(5-bromanylpyridin-2-yl)propanamide Openeye Name: (2R)-2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(5-bromo-2-pyridyl)propanamide CAS Name: (2R)-2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-N-(5-bromo-2-pyridinyl)propanamide IUPAC Name: (2R)-2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-(5-bromopyridin-2-yl)propanamide Traditional Name: (2R)-2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-(5-bromo-2-pyridyl)propionamide Formula: C20H20BrN5O2S MolecularWeight: 474.3741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN5O2S/c1-13(19(28)24-17-8-7-15(21)12-23-17)29-20-25-18(27)11-16(22)26(20)10-9-14-5-3-2-4-6-14/h2-8,11-13H,9-10,22H2,1H3,(H,23,24,28)/t13-/m1/s1