ethyl 4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C14H18N6O3S MolecularWeight: 350.39612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C14H18N6O3S/c1-2-23-14(22)20-5-3-19(4-6-20)11(21)9-24-13-17-8-10(7-15)12(16)18-13/h8H,2-6,9H2,1H3,(H2,16,17,18)