propan-2-yl 3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]benzoate

Systemtic Name: propan-2-yl 3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]benzoate Openeye Name: isopropyl 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]benzoate CAS Name: 3-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]benzoate Traditional Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]benzoic acid isopropyl ester Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O2S/c1-14(2)29-23(28)18-6-4-5-16(12-18)11-17-7-8-21-19(13-17)15(3)22(30-21)20-9-10-26-24(25)27-20/h4-10,12-14H,11H2,1-3H3,(H2,25,26,27)