methyl (2S)-2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C13H21N5O3S MolecularWeight: 327.40254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)CSC1=NC(=CC(=N1)N)N

InChI

InChI=1S/C13H21N5O3S/c1-7(2)4-8(12(20)21-3)16-11(19)6-22-13-17-9(14)5-10(15)18-13/h5,7-8H,4,6H2,1-3H3,(H,16,19)(H4,14,15,17,18)/t8-/m0/s1