methyl 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C13H20N4O4S MolecularWeight: 328.3873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O4S/c1-7(2)4-8(12(20)21-3)15-11(19)6-22-13-16-9(14)5-10(18)17-13/h5,7-8H,4,6H2,1-3H3,(H,15,19)(H3,14,16,17,18)