N-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]thiophene-2-carboxamide Formula: C19H16N4OS2 MolecularWeight: 380.48654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)CNC(=O)C3=CC=CS3)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)CNC(=O)C3=CC=CS3)C4=NC(=NC=C4)N

InChI

InChI=1S/C19H16N4OS2/c1-11-13-9-12(10-22-18(24)16-3-2-8-25-16)4-5-15(13)26-17(11)14-6-7-21-19(20)23-14/h2-9H,10H2,1H3,(H,22,24)(H2,20,21,23)