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

Systemtic Name: methyl 2-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylethanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanylacetyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C14H22N4O3S MolecularWeight: 326.41448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC(CC(C)C)C(=O)OC)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC(CC(C)C)C(=O)OC)N

InChI

InChI=1S/C14H22N4O3S/c1-8(2)5-10(13(20)21-4)17-12(19)7-22-14-16-9(3)6-11(15)18-14/h6,8,10H,5,7H2,1-4H3,(H,17,19)(H2,15,16,18)