[3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]phenyl] ethanoate

Systemtic Name: [3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]phenyl] ethanoate Openeye Name: [3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]phenyl] acetate CAS Name: acetic acid [3-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]methyl]phenyl] ester IUPAC Name: [3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]phenyl] acetate Traditional Name: acetic acid [3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]phenyl] ester Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)CC3=CC(=CC=C3)OC(=O)C)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)CC3=CC(=CC=C3)OC(=O)C)C4=NC(=NC=C4)N

InChI

InChI=1S/C22H19N3O2S/c1-13-18-12-16(10-15-4-3-5-17(11-15)27-14(2)26)6-7-20(18)28-21(13)19-8-9-24-22(23)25-19/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)