3-[[6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propylazanium

Systemtic Name: 3-[[6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propylazanium Openeye Name: 3-[[5-(4-isopropylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propylammonium CAS Name: 3-[[6-methyl-5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]propylammonium IUPAC Name: 3-[[6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propylazanium Traditional Name: 3-[(6-methyl-5-p-cumenyl-thieno[2,3-d]pyrimidin-4-yl)amino]propylammonium Formula: C19H25N4S+ MolecularWeight: 341.4936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)NCCC[NH3+])C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)NCCC[NH3+])C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C19H24N4S/c1-12(2)14-5-7-15(8-6-14)16-13(3)24-19-17(16)18(22-11-23-19)21-10-4-9-20/h5-8,11-12H,4,9-10,20H2,1-3H3,(H,21,22,23)/p+1