6-ethynyl-N-[2-(phenylmethyl)-1-benzofuran-5-yl]thieno[3,2-d]pyrimidin-4-amine hydrochloride

Systemtic Name: 6-ethynyl-N-[2-(phenylmethyl)-1-benzofuran-5-yl]thieno[3,2-d]pyrimidin-4-amine hydrochloride Openeye Name: N-(2-benzylbenzofuran-5-yl)-6-ethynyl-thieno[3,2-d]pyrimidin-4-amine hydrochloride CAS Name: 6-ethynyl-N-[2-(phenylmethyl)-5-benzofuranyl]-4-thieno[3,2-d]pyrimidinamine hydrochloride IUPAC Name: N-(2-benzyl-1-benzofuran-5-yl)-6-ethynylthieno[3,2-d]pyrimidin-4-amine hydrochloride Traditional Name: (2-benzylbenzofuran-5-yl)-(6-ethynylthieno[3,2-d]pyrimidin-4-yl)amine hydrochloride Formula: C23H16ClN3OS MolecularWeight: 417.91064

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(S1)C(=NC=N2)NC3=CC4=C(C=C3)OC(=C4)CC5=CC=CC=C5.Cl

Isomeric SMILES

C#CC1=CC2=C(S1)C(=NC=N2)NC3=CC4=C(C=C3)OC(=C4)CC5=CC=CC=C5.Cl

InChI

InChI=1S/C23H15N3OS.ClH/c1-2-19-13-20-22(28-19)23(25-14-24-20)26-17-8-9-21-16(11-17)12-18(27-21)10-15-6-4-3-5-7-15;/h1,3-9,11-14H,10H2,(H,24,25,26);1H