ethyl 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-3-methyl-butanoate

Systemtic Name: ethyl 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-3-methyl-butanoate Openeye Name: ethyl 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-3-methyl-butanoate CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-3-methylbutanoate Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-3-methyl-butyric acid ethyl ester Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)SC1=NC=C(C(=N1)N)C#N

Isomeric SMILES

CCOC(=O)C(C(C)C)SC1=NC=C(C(=N1)N)C#N

InChI

InChI=1S/C12H16N4O2S/c1-4-18-11(17)9(7(2)3)19-12-15-6-8(5-13)10(14)16-12/h6-7,9H,4H2,1-3H3,(H2,14,15,16)