methyl 3-methyl-2-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]pentanoate

Systemtic Name: methyl 3-methyl-2-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]pentanoate Openeye Name: methyl 3-methyl-2-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]pentanoate CAS Name: 3-methyl-2-[[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]pentanoate Traditional Name: 3-methyl-2-[[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]valeric acid methyl ester Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC=NC2=C1C=NN2C

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC=NC2=C1C=NN2C

InChI

InChI=1S/C15H21N5O3S/c1-5-9(2)12(15(22)23-4)19-11(21)7-24-14-10-6-18-20(3)13(10)16-8-17-14/h6,8-9,12H,5,7H2,1-4H3,(H,19,21)