5,6-dimethyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5,6-dimethyl-2-(2-oxoazepan-3-yl)sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(2-oxo-3-azepanyl)thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-2-(2-oxoazepan-3-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(2-ketoazepan-3-yl)thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C17H21N3O2S2 MolecularWeight: 363.49754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC3CCCCNC3=O)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC3CCCCNC3=O)CC=C)C

InChI

InChI=1S/C17H21N3O2S2/c1-4-9-20-16(22)13-10(2)11(3)23-15(13)19-17(20)24-12-7-5-6-8-18-14(12)21/h4,12H,1,5-9H2,2-3H3,(H,18,21)