4-[3-methyl-5-[(3-phenylmethoxyphenyl)amino]-1-benzothiophen-2-yl]pyrimidin-2-amine

Systemtic Name: 4-[3-methyl-5-[(3-phenylmethoxyphenyl)amino]-1-benzothiophen-2-yl]pyrimidin-2-amine Openeye Name: 4-[5-(3-benzyloxyanilino)-3-methyl-benzothiophen-2-yl]pyrimidin-2-amine CAS Name: 4-[3-methyl-5-(3-phenylmethoxyanilino)-1-benzothiophen-2-yl]-2-pyrimidinamine IUPAC Name: 4-[3-methyl-5-(3-phenylmethoxyanilino)-1-benzothiophen-2-yl]pyrimidin-2-amine Traditional Name: [2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]-(3-benzoxyphenyl)amine Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)NC3=CC(=CC=C3)OCC4=CC=CC=C4)C5=NC(=NC=C5)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)NC3=CC(=CC=C3)OCC4=CC=CC=C4)C5=NC(=NC=C5)N

InChI

InChI=1S/C26H22N4OS/c1-17-22-15-20(10-11-24(22)32-25(17)23-12-13-28-26(27)30-23)29-19-8-5-9-21(14-19)31-16-18-6-3-2-4-7-18/h2-15,29H,16H2,1H3,(H2,27,28,30)