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

Systemtic Name: 4-[3-methyl-5-[(3-phenoxyphenyl)amino]-1-benzothiophen-2-yl]pyrimidin-2-amine Openeye Name: 4-[3-methyl-5-(3-phenoxyanilino)benzothiophen-2-yl]pyrimidin-2-amine CAS Name: 4-[3-methyl-5-(3-phenoxyanilino)-1-benzothiophen-2-yl]-2-pyrimidinamine IUPAC Name: 4-[3-methyl-5-(3-phenoxyanilino)-1-benzothiophen-2-yl]pyrimidin-2-amine Traditional Name: [2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]-(3-phenoxyphenyl)amine Formula: C25H20N4OS MolecularWeight: 424.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)NC3=CC(=CC=C3)OC4=CC=CC=C4)C5=NC(=NC=C5)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)NC3=CC(=CC=C3)OC4=CC=CC=C4)C5=NC(=NC=C5)N

InChI

InChI=1S/C25H20N4OS/c1-16-21-15-18(10-11-23(21)31-24(16)22-12-13-27-25(26)29-22)28-17-6-5-9-20(14-17)30-19-7-3-2-4-8-19/h2-15,28H,1H3,(H2,26,27,29)