N-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]-3-oxidanyl-benzamide

Systemtic Name: N-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]-3-oxidanyl-benzamide Openeye Name: N-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]-3-hydroxy-benzamide CAS Name: N-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]methyl]-3-hydroxybenzamide IUPAC Name: N-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]-3-hydroxybenzamide Traditional Name: N-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]-3-hydroxy-benzamide Formula: C21H18N4O2S MolecularWeight: 390.45822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)CNC(=O)C3=CC(=CC=C3)O)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)CNC(=O)C3=CC(=CC=C3)O)C4=NC(=NC=C4)N

InChI

InChI=1S/C21H18N4O2S/c1-12-16-9-13(11-24-20(27)14-3-2-4-15(26)10-14)5-6-18(16)28-19(12)17-7-8-23-21(22)25-17/h2-10,26H,11H2,1H3,(H,24,27)(H2,22,23,25)