[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C14H16N4O4S2 MolecularWeight: 368.43124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CSC1=NC=NC2=C1C=CS2

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)CSC1=NC=NC2=C1C=CS2

InChI

InChI=1S/C14H16N4O4S2/c1-7(2)10(11(20)18-14(15)21)22-9(19)5-24-13-8-3-4-23-12(8)16-6-17-13/h3-4,6-7,10H,5H2,1-2H3,(H3,15,18,20,21)/t10-/m1/s1