3,6-dimethyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one

Systemtic Name: 3,6-dimethyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one Openeye Name: 3,6-dimethyl-2-(2-oxoazepan-3-yl)sulfanyl-quinazolin-4-one CAS Name: 3,6-dimethyl-2-[(2-oxo-3-azepanyl)thio]-4-quinazolinone IUPAC Name: 3,6-dimethyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one Traditional Name: 2-[(2-ketoazepan-3-yl)thio]-3,6-dimethyl-quinazolin-4-one Formula: C16H19N3O2S MolecularWeight: 317.40596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC3CCCCNC3=O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC3CCCCNC3=O

InChI

InChI=1S/C16H19N3O2S/c1-10-6-7-12-11(9-10)15(21)19(2)16(18-12)22-13-5-3-4-8-17-14(13)20/h6-7,9,13H,3-5,8H2,1-2H3,(H,17,20)