4-[5-[2-(3-methoxyphenyl)ethynyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine

Systemtic Name: 4-[5-[2-(3-methoxyphenyl)ethynyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine Openeye Name: 4-[5-[2-(3-methoxyphenyl)ethynyl]-3-methyl-benzothiophen-2-yl]pyrimidin-2-amine CAS Name: 4-[5-[2-(3-methoxyphenyl)ethynyl]-3-methyl-1-benzothiophen-2-yl]-2-pyrimidinamine IUPAC Name: 4-[5-[2-(3-methoxyphenyl)ethynyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine Traditional Name: [4-[5-[2-(3-methoxyphenyl)ethynyl]-3-methyl-benzothiophen-2-yl]pyrimidin-2-yl]amine Formula: C22H17N3OS MolecularWeight: 371.45488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3OS/c1-14-18-13-16(7-6-15-4-3-5-17(12-15)26-2)8-9-20(18)27-21(14)19-10-11-24-22(23)25-19/h3-5,8-13H,1-2H3,(H2,23,24,25)