methyl 4-[[3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]amino]phenyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]amino]phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]amino]phenyl]carbamoyl]benzoate CAS Name: 4-[[3-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]amino]anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]amino]phenyl]carbamoyl]benzoate Traditional Name: 4-[[3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]amino]phenyl]carbamoyl]benzoic acid methyl ester Formula: C28H23N5O3S MolecularWeight: 509.57892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C(=O)OC)C5=NC(=NC=C5)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C(=O)OC)C5=NC(=NC=C5)N

InChI

InChI=1S/C28H23N5O3S/c1-16-22-15-21(10-11-24(22)37-25(16)23-12-13-30-28(29)33-23)31-19-4-3-5-20(14-19)32-26(34)17-6-8-18(9-7-17)27(35)36-2/h3-15,31H,1-2H3,(H,32,34)(H2,29,30,33)