N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-1-(4,7-dimethylquinazolin-2-yl)azepan-4-amine

Systemtic Name: N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-1-(4,7-dimethylquinazolin-2-yl)azepan-4-amine Openeye Name: 1-(4,7-dimethylquinazolin-2-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]azepan-4-amine CAS Name: 1-(4,7-dimethyl-2-quinazolinyl)-N-[(1,1-dioxo-3-thiolanyl)methyl]-4-azepanamine IUPAC Name: 1-(4,7-dimethylquinazolin-2-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]azepan-4-amine Traditional Name: (1,1-diketothiolan-3-yl)methyl-[1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]amine Formula: C21H30N4O2S MolecularWeight: 402.5535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(CC3)NCC4CCS(=O)(=O)C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(CC3)NCC4CCS(=O)(=O)C4)C

InChI

InChI=1S/C21H30N4O2S/c1-15-5-6-19-16(2)23-21(24-20(19)12-15)25-9-3-4-18(7-10-25)22-13-17-8-11-28(26,27)14-17/h5-6,12,17-18,22H,3-4,7-11,13-14H2,1-2H3