methyl 2-[2-[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-(1-allophanoyl-2-methyl-propyl)sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[(1-allophanoyl-2-methyl-propyl)thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C13H18N4O5S MolecularWeight: 342.37082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NC(=O)C=C(N1)CC(=O)OC

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NC(=O)C=C(N1)CC(=O)OC

InChI

InChI=1S/C13H18N4O5S/c1-6(2)10(11(20)17-12(14)21)23-13-15-7(4-8(18)16-13)5-9(19)22-3/h4,6,10H,5H2,1-3H3,(H,15,16,18)(H3,14,17,20,21)