methyl 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C14H19N5O3S MolecularWeight: 337.39736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O3S/c1-8(2)4-10(13(21)22-3)18-11(20)7-23-14-17-6-9(5-15)12(16)19-14/h6,8,10H,4,7H2,1-3H3,(H,18,20)(H2,16,17,19)