(4S)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine

Systemtic Name: (4S)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine Openeye Name: (4S)-1-(4,7-dimethylquinazolin-2-yl)-N-tetrahydropyran-4-yl-azepan-4-amine CAS Name: (4S)-1-(4,7-dimethyl-2-quinazolinyl)-N-(4-oxanyl)-4-azepanamine IUPAC Name: (4S)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine Traditional Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-tetrahydropyran-4-yl-amine Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(CC3)NC4CCOCC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC[C@@H](CC3)NC4CCOCC4)C

InChI

InChI=1S/C21H30N4O/c1-15-5-6-19-16(2)22-21(24-20(19)14-15)25-10-3-4-17(7-11-25)23-18-8-12-26-13-9-18/h5-6,14,17-18,23H,3-4,7-13H2,1-2H3/t17-/m0/s1