2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(1S)-2-oxocyclohexyl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(1S)-2-oxocyclohexyl]thio]-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(1S)-2-oxocyclohexyl]sulfanyl-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[(1S)-2-ketocyclohexyl]thio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H20N2O2S2 MolecularWeight: 396.5257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SC3CCCCC3=O)SC=C2C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1S[C@H]3CCCCC3=O)SC=C2C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O2S2/c1-2-12-23-20(25)18-15(14-8-4-3-5-9-14)13-26-19(18)22-21(23)27-17-11-7-6-10-16(17)24/h2-5,8-9,13,17H,1,6-7,10-12H2/t17-/m0/s1