N-[4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl]phenyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl]phenyl]-2,2-dimethyl-propanamide Openeye Name: N-[4-[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]phenyl]-2,2-dimethyl-propanamide CAS Name: N-[4-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]phenyl]-2,2-dimethylpropanamide IUPAC Name: N-[4-[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]phenyl]-2,2-dimethylpropanamide Traditional Name: N-[4-[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]phenyl]-2,2-dimethyl-propionamide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C18H19N5O2S/c1-18(2,3)16(25)22-13-6-4-11(5-7-13)14(24)10-26-17-21-9-12(8-19)15(20)23-17/h4-7,9H,10H2,1-3H3,(H,22,25)(H2,20,21,23)