N-[2-[4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl]phenyl]ethyl]ethanamide

Systemtic Name: N-[2-[4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl]phenyl]ethyl]ethanamide Openeye Name: N-[2-[4-[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]phenyl]ethyl]acetamide CAS Name: N-[2-[4-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]phenyl]ethyl]acetamide IUPAC Name: N-[2-[4-[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]phenyl]ethyl]acetamide Traditional Name: N-[2-[4-[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]phenyl]ethyl]acetamide Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C17H17N5O2S/c1-11(23)20-7-6-12-2-4-13(5-3-12)15(24)10-25-17-21-9-14(8-18)16(19)22-17/h2-5,9H,6-7,10H2,1H3,(H,20,23)(H2,19,21,22)