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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC4CCCCC4=O)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)S[C@H]4CCCCC4=O)CC=C

InChI

InChI=1S/C22H22N2O2S2/c1-3-12-24-21(26)19-16(15-10-8-14(2)9-11-15)13-27-20(19)23-22(24)28-18-7-5-4-6-17(18)25/h3,8-11,13,18H,1,4-7,12H2,2H3/t18-/m0/s1