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

Systemtic Name: 6-ethynyl-N-[2-(phenylmethyl)-1,3-benzothiazol-5-yl]thieno[3,2-d]pyrimidin-4-amine hydrochloride Openeye Name: N-(2-benzyl-1,3-benzothiazol-5-yl)-6-ethynyl-thieno[3,2-d]pyrimidin-4-amine hydrochloride CAS Name: 6-ethynyl-N-[2-(phenylmethyl)-1,3-benzothiazol-5-yl]-4-thieno[3,2-d]pyrimidinamine hydrochloride IUPAC Name: N-(2-benzyl-1,3-benzothiazol-5-yl)-6-ethynylthieno[3,2-d]pyrimidin-4-amine hydrochloride Traditional Name: (2-benzyl-1,3-benzothiazol-5-yl)-(6-ethynylthieno[3,2-d]pyrimidin-4-yl)amine hydrochloride Formula: C22H15ClN4S2 MolecularWeight: 434.9643

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(S1)C(=NC=N2)NC3=CC4=C(C=C3)SC(=N4)CC5=CC=CC=C5.Cl

Isomeric SMILES

C#CC1=CC2=C(S1)C(=NC=N2)NC3=CC4=C(C=C3)SC(=N4)CC5=CC=CC=C5.Cl

InChI

InChI=1S/C22H14N4S2.ClH/c1-2-16-12-18-21(27-16)22(24-13-23-18)25-15-8-9-19-17(11-15)26-20(28-19)10-14-6-4-3-5-7-14;/h1,3-9,11-13H,10H2,(H,23,24,25);1H