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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H11N5O3S2 MolecularWeight: 385.42024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C16H11N5O3S2/c22-13(7-26-15-11-5-6-25-14(11)17-8-18-15)24-9-21-16(23)10-3-1-2-4-12(10)19-20-21/h1-6,8H,7,9H2