(2R)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-chloranyl-4-methoxy-phenyl)propanamide

Systemtic Name: (2R)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-chloranyl-4-methoxy-phenyl)propanamide Openeye Name: (2R)-2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methoxy-phenyl)propanamide CAS Name: (2R)-2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(3-chloro-4-methoxyphenyl)propanamide IUPAC Name: (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methoxyphenyl)propanamide Traditional Name: (2R)-2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(3-chloro-4-methoxy-phenyl)propionamide Formula: C15H14ClN5O2S MolecularWeight: 363.82196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C15H14ClN5O2S/c1-8(24-15-19-7-9(6-17)13(18)21-15)14(22)20-10-3-4-12(23-2)11(16)5-10/h3-5,7-8H,1-2H3,(H,20,22)(H2,18,19,21)/t8-/m1/s1