(4S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)azepan-4-amine

Systemtic Name: (4S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)azepan-4-amine Openeye Name: (4S)-N-[(1R)-indan-1-yl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)azepan-4-amine CAS Name: (4S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-azepanamine IUPAC Name: (4S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)azepan-4-amine Traditional Name: [(1R)-indan-1-yl]-[(4S)-1-(7-mesyl-4-methyl-quinazolin-2-yl)azepan-4-yl]amine Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(CC3)NC4CCC5=CC=CC=C45

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC[C@@H](CC3)N[C@@H]4CCC5=CC=CC=C45

InChI

InChI=1S/C25H30N4O2S/c1-17-21-11-10-20(32(2,30)31)16-24(21)28-25(26-17)29-14-5-7-19(13-15-29)27-23-12-9-18-6-3-4-8-22(18)23/h3-4,6,8,10-11,16,19,23,27H,5,7,9,12-15H2,1-2H3/t19-,23+/m0/s1