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

Systemtic Name: methyl 2-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanylacetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C14H22N4O3S MolecularWeight: 326.41448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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