5-methyl-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-methyl-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5-methyl-2-[(1S)-2-oxocyclohexyl]sulfanyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-methyl-2-[[(1S)-2-oxocyclohexyl]thio]-6-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-methyl-2-[(1S)-2-oxocyclohexyl]sulfanyl-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[(1S)-2-ketocyclohexyl]thio]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC3CCCCC3=O)CC=C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)S[C@H]3CCCCC3=O)CC=C)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O2S2/c1-3-13-24-21(26)18-14(2)19(15-9-5-4-6-10-15)28-20(18)23-22(24)27-17-12-8-7-11-16(17)25/h3-6,9-10,17H,1,7-8,11-13H2,2H3/t17-/m0/s1