N-[(3-methoxyphenyl)methyl]-4-pyridin-4-yl-5-pyrimidin-4-yl-thiophene-2-carboxamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-4-pyridin-4-yl-5-pyrimidin-4-yl-thiophene-2-carboxamide Openeye Name: N-[(3-methoxyphenyl)methyl]-4-(4-pyridyl)-5-pyrimidin-4-yl-thiophene-2-carboxamide CAS Name: N-[(3-methoxyphenyl)methyl]-4-pyridin-4-yl-5-(4-pyrimidinyl)-2-thiophenecarboxamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-pyridin-4-yl-5-pyrimidin-4-ylthiophene-2-carboxamide Traditional Name: N-m-anisyl-4-(4-pyridyl)-5-(4-pyrimidyl)thiophene-2-carboxamide Formula: C22H18N4O2S MolecularWeight: 402.46892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=CC(=C(S2)C3=NC=NC=C3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=CC(=C(S2)C3=NC=NC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H18N4O2S/c1-28-17-4-2-3-15(11-17)13-25-22(27)20-12-18(16-5-8-23-9-6-16)21(29-20)19-7-10-24-14-26-19/h2-12,14H,13H2,1H3,(H,25,27)