N-(6-ethynylthieno[3,2-d]pyrimidin-4-yl)-2-(phenylmethyl)-1,3-benzoxazol-6-amine

Systemtic Name: N-(6-ethynylthieno[3,2-d]pyrimidin-4-yl)-2-(phenylmethyl)-1,3-benzoxazol-6-amine Openeye Name: 2-benzyl-N-(6-ethynylthieno[3,2-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine CAS Name: N-(6-ethynyl-4-thieno[3,2-d]pyrimidinyl)-2-(phenylmethyl)-1,3-benzoxazol-6-amine IUPAC Name: 2-benzyl-N-(6-ethynylthieno[3,2-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine Traditional Name: (2-benzyl-1,3-benzoxazol-6-yl)-(6-ethynylthieno[3,2-d]pyrimidin-4-yl)amine Formula: C22H14N4OS MolecularWeight: 382.43776

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(S1)C(=NC=N2)NC3=CC4=C(C=C3)N=C(O4)CC5=CC=CC=C5

Isomeric SMILES

C#CC1=CC2=C(S1)C(=NC=N2)NC3=CC4=C(C=C3)N=C(O4)CC5=CC=CC=C5

InChI

InChI=1S/C22H14N4OS/c1-2-16-12-18-21(28-16)22(24-13-23-18)25-15-8-9-17-19(11-15)27-20(26-17)10-14-6-4-3-5-7-14/h1,3-9,11-13H,10H2,(H,23,24,25)