N-[4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]phenyl]-3-methyl-butyramide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O2S/c1-11(2)7-16(25)22-14-5-3-12(4-6-14)15(24)10-26-18-21-9-13(8-19)17(20)23-18/h3-6,9,11H,7,10H2,1-2H3,(H,22,25)(H2,20,21,23)