propyl 3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride

Systemtic Name: propyl 3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Openeye Name: propyl 3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride CAS Name: 3-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid propyl ester hydrochloride IUPAC Name: propyl 3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Traditional Name: 3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid propyl ester hydrochloride Formula: C23H22ClN3O2S MolecularWeight: 439.95768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=CC=C4.Cl

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=CC=C4.Cl

InChI

InChI=1S/C23H21N3O2S.ClH/c1-3-12-28-23(27)17-10-7-11-18(13-17)26-21-20-19(16-8-5-4-6-9-16)15(2)29-22(20)25-14-24-21;/h4-11,13-14H,3,12H2,1-2H3,(H,24,25,26);1H