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

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(5-chloranylpyridin-2-yl)ethanamide Openeye Name: 2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-N-(5-chloro-2-pyridinyl)acetamide IUPAC Name: 2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-(5-chloropyridin-2-yl)acetamide Traditional Name: 2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-(5-chloro-2-pyridyl)acetamide Formula: C19H18ClN5O2S MolecularWeight: 415.89652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC(=O)NC3=NC=C(C=C3)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC(=O)NC3=NC=C(C=C3)Cl)N

InChI

InChI=1S/C19H18ClN5O2S/c20-14-6-7-16(22-11-14)23-18(27)12-28-19-24-17(26)10-15(21)25(19)9-8-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12,21H2,(H,22,23,27)