2-[[cyclohexyl-(2-oxidanyl-3-prop-2-enoxy-propyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[cyclohexyl-(2-oxidanyl-3-prop-2-enoxy-propyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[(3-allyloxy-2-hydroxy-propyl)-cyclohexyl-amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[cyclohexyl-(2-hydroxy-3-prop-2-enoxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[cyclohexyl-(2-hydroxy-3-prop-2-enoxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(3-allyloxy-2-hydroxy-propyl)-cyclohexyl-amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H31N3O3S MolecularWeight: 405.55414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(COCC=C)O)C3CCCCC3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(COCC=C)O)C3CCCCC3)C

InChI

InChI=1S/C21H31N3O3S/c1-4-10-27-13-17(25)11-24(16-8-6-5-7-9-16)12-18-22-20(26)19-14(2)15(3)28-21(19)23-18/h4,16-17,25H,1,5-13H2,2-3H3,(H,22,23,26)