(2S)-1-(azepan-1-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(azepan-1-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-propan-1-one Openeye Name: (2S)-1-(azepan-1-yl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-propan-1-one CAS Name: (2S)-1-(1-azepanyl)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]-1-propanone IUPAC Name: (2S)-1-(azepan-1-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropan-1-one Traditional Name: (2S)-1-(azepan-1-yl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]propan-1-one Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)SC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

InChI

InChI=1S/C22H30N4O2S/c1-17(22(27)26-10-6-2-3-7-11-26)29-21-18-8-4-5-9-19(18)23-20(24-21)16-25-12-14-28-15-13-25/h4-5,8-9,17H,2-3,6-7,10-16H2,1H3/t17-/m0/s1