2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylsulfanyl)ethanoic acid

Systemtic Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylsulfanyl)ethanoic acid Openeye Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylsulfanyl)acetic acid CAS Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylthio)acetic acid IUPAC Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylsulfanyl)acetic acid Traditional Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylthio)acetic acid Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=CC=CC=C2C3=C1C(=NC=N3)SCC(=O)O

Isomeric SMILES

C1CNC2=CC=CC=C2C3=C1C(=NC=N3)SCC(=O)O

InChI

InChI=1S/C14H13N3O2S/c18-12(19)7-20-14-10-5-6-15-11-4-2-1-3-9(11)13(10)16-8-17-14/h1-4,8,15H,5-7H2,(H,18,19)