(2R)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide

Systemtic Name: (2R)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide Openeye Name: (2R)-2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide CAS Name: (2R)-2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[2-(1-cyclohexenyl)ethyl]propanamide IUPAC Name: (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide Traditional Name: (2R)-2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[2-(cyclohexen-1-yl)ethyl]propionamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

C[C@H](C(=O)NCCC1=CCCCC1)SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C16H21N5OS/c1-11(23-16-20-10-13(9-17)14(18)21-16)15(22)19-8-7-12-5-3-2-4-6-12/h5,10-11H,2-4,6-8H2,1H3,(H,19,22)(H2,18,20,21)/t11-/m1/s1