4-[[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexanol CAS Name: 4-[[5,6-dimethyl-2-[(phenylthio)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[5,6-dimethyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexanol Formula: C21H25N3OS2 MolecularWeight: 399.5727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3CCC(CC3)O)CSC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3CCC(CC3)O)CSC4=CC=CC=C4)C

InChI

InChI=1S/C21H25N3OS2/c1-13-14(2)27-21-19(13)20(22-15-8-10-16(25)11-9-15)23-18(24-21)12-26-17-6-4-3-5-7-17/h3-7,15-16,25H,8-12H2,1-2H3,(H,22,23,24)