5-(3,4-dimethylphenyl)-3-methyl-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(3,4-dimethylphenyl)-3-methyl-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(3,4-dimethylphenyl)-3-methyl-2-[(1S)-2-oxocyclohexyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3,4-dimethylphenyl)-3-methyl-2-[[(1S)-2-oxocyclohexyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(3,4-dimethylphenyl)-3-methyl-2-[(1S)-2-oxocyclohexyl]sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(3,4-dimethylphenyl)-2-[[(1S)-2-ketocyclohexyl]thio]-3-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2S2/c1-12-8-9-14(10-13(12)2)15-11-26-19-18(15)20(25)23(3)21(22-19)27-17-7-5-4-6-16(17)24/h8-11,17H,4-7H2,1-3H3/t17-/m0/s1