6-ethynyl-N-[2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-amine

Systemtic Name: 6-ethynyl-N-[2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-amine Openeye Name: 6-ethynyl-N-[2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-amine CAS Name: 6-ethynyl-N-[2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]-4-thieno[3,2-d]pyrimidinamine IUPAC Name: 6-ethynyl-N-[2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-amine Traditional Name: (6-ethynylthieno[3,2-d]pyrimidin-4-yl)-(2-m-anisyl-3H-benzimidazol-5-yl)amine Formula: C23H17N5OS MolecularWeight: 411.47898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=NC3=C(N2)C=C(C=C3)NC4=NC=NC5=C4SC(=C5)C#C

Isomeric SMILES

COC1=CC=CC(=C1)CC2=NC3=C(N2)C=C(C=C3)NC4=NC=NC5=C4SC(=C5)C#C

InChI

InChI=1S/C23H17N5OS/c1-3-17-12-20-22(30-17)23(25-13-24-20)26-15-7-8-18-19(11-15)28-21(27-18)10-14-5-4-6-16(9-14)29-2/h1,4-9,11-13H,10H2,2H3,(H,27,28)(H,24,25,26)