2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbenzoic acid Openeye Name: 2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanylbenzoic acid CAS Name: 2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]benzoic acid IUPAC Name: 2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbenzoic acid Traditional Name: 2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]benzoic acid Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NC3=CC=CC=C3C(=N2)SC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1COCCN1CC2=NC3=CC=CC=C3C(=N2)SC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C20H19N3O3S/c24-20(25)15-6-2-4-8-17(15)27-19-14-5-1-3-7-16(14)21-18(22-19)13-23-9-11-26-12-10-23/h1-8H,9-13H2,(H,24,25)