2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[2-(phenylthio)phenyl]propionamide Formula: C20H17N5OS2 MolecularWeight: 407.51188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)SC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)SC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C20H17N5OS2/c1-13(27-20-23-12-14(11-21)18(22)25-20)19(26)24-16-9-5-6-10-17(16)28-15-7-3-2-4-8-15/h2-10,12-13H,1H3,(H,24,26)(H2,22,23,25)