6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanoic acid

Systemtic Name: 6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanoic acid Openeye Name: 6-[(2-thioxo-1H-quinazolin-4-yl)amino]hexanoic acid CAS Name: 6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanoic acid IUPAC Name: 6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanoic acid Traditional Name: 6-[(2-thioxo-1H-quinazolin-4-yl)amino]hexanoic acid Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=S)N2)NCCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=S)N2)NCCCCCC(=O)O

InChI

InChI=1S/C14H17N3O2S/c18-12(19)8-2-1-5-9-15-13-10-6-3-4-7-11(10)16-14(20)17-13/h3-4,6-7H,1-2,5,8-9H2,(H,18,19)(H2,15,16,17,20)