methyl 2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C13H21N5O3S MolecularWeight: 327.40254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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