pyridin-2-ylmethyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoate

Systemtic Name: pyridin-2-ylmethyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoate Openeye Name: 2-pyridylmethyl 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylthio)acetic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)acetic acid 2-pyridylmethyl ester Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)OCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)OCC4=CC=CC=N4

InChI

InChI=1S/C18H13N3O3S/c22-15(23-9-12-5-3-4-8-19-12)10-25-18-17-16(20-11-21-18)13-6-1-2-7-14(13)24-17/h1-8,11H,9-10H2