1-(azepan-1-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]ethanone Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

InChI

InChI=1S/C21H28N4O2S/c26-20(25-9-5-1-2-6-10-25)16-28-21-17-7-3-4-8-18(17)22-19(23-21)15-24-11-13-27-14-12-24/h3-4,7-8H,1-2,5-6,9-16H2