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

Systemtic Name: 3-[(5-methyl-6-phenylmethoxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]propylazanium Openeye Name: 3-[(6-benzyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]propylammonium CAS Name: 3-[(5-methyl-6-phenylmethoxycarbonyl-4-thieno[2,3-d]pyrimidinyl)amino]propylammonium IUPAC Name: 3-[(5-methyl-6-phenylmethoxycarbonylthieno[2,3-d]pyrimidin-4-yl)amino]propylazanium Traditional Name: 3-[(6-carbobenzoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]propylammonium Formula: C18H21N4O2S+ MolecularWeight: 357.44994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCC[NH3+])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCC[NH3+])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2S/c1-12-14-16(20-9-5-8-19)21-11-22-17(14)25-15(12)18(23)24-10-13-6-3-2-4-7-13/h2-4,6-7,11H,5,8-10,19H2,1H3,(H,20,21,22)/p+1