2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H25N5OS2 MolecularWeight: 415.5754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(N3CC=C)C4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(N3CC=C)C4CCCCC4)C

InChI

InChI=1S/C20H25N5OS2/c1-4-10-25-17(14-8-6-5-7-9-14)23-24-20(25)27-11-15-21-18(26)16-12(2)13(3)28-19(16)22-15/h4,14H,1,5-11H2,2-3H3,(H,21,22,26)