2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(5-chloranylpyridin-2-yl)butanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(5-chloranylpyridin-2-yl)butanamide Openeye Name: 2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridyl)butanamide CAS Name: 2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-N-(5-chloro-2-pyridinyl)butanamide IUPAC Name: 2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-(5-chloropyridin-2-yl)butanamide Traditional Name: 2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-(5-chloro-2-pyridyl)butyramide Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O2S/c1-2-16(20(29)25-18-9-8-15(22)13-24-18)30-21-26-19(28)12-17(23)27(21)11-10-14-6-4-3-5-7-14/h3-9,12-13,16H,2,10-11,23H2,1H3,(H,24,25,29)