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

Systemtic Name: 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl-ethyl-amino]-N-propan-2-yl-ethanamide Openeye Name: 2-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]-ethyl-amino]-N-isopropyl-acetamide CAS Name: 2-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-ethylamino]-N-propan-2-ylacetamide IUPAC Name: 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide Traditional Name: 2-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]-ethyl-amino]-N-isopropyl-acetamide Formula: C14H20N6O2S MolecularWeight: 336.4126

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(C)C)C(=O)CSC1=NC=C(C(=N1)N)C#N

Isomeric SMILES

CCN(CC(=O)NC(C)C)C(=O)CSC1=NC=C(C(=N1)N)C#N

InChI

InChI=1S/C14H20N6O2S/c1-4-20(7-11(21)18-9(2)3)12(22)8-23-14-17-6-10(5-15)13(16)19-14/h6,9H,4,7-8H2,1-3H3,(H,18,21)(H2,16,17,19)