2-(3-methoxyphenyl)-5-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 2-(3-methoxyphenyl)-5-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 2-(3-methoxyphenyl)-5-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 2-(3-methoxyphenyl)-5-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 2-(3-methoxyphenyl)-5-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 2-(3-methoxyphenyl)-5-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-3,4-dihydro-2H-1,5-benzothiazepine Formula: C25H24N4OS MolecularWeight: 428.54926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCN(C3=CC=CC=C3S2)CC4=CC=CN4C5=NC=CC=N5

Isomeric SMILES

COC1=CC=CC(=C1)C2CCN(C3=CC=CC=C3S2)CC4=CC=CN4C5=NC=CC=N5

InChI

InChI=1S/C25H24N4OS/c1-30-21-9-4-7-19(17-21)23-12-16-28(22-10-2-3-11-24(22)31-23)18-20-8-5-15-29(20)25-26-13-6-14-27-25/h2-11,13-15,17,23H,12,16,18H2,1H3