N-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine

Systemtic Name: N-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine Openeye Name: N-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine CAS Name: N-[5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]-2-methyl-1,3-benzoxazol-5-amine IUPAC Name: N-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine Traditional Name: [5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)amine Formula: C21H24N5OS+ MolecularWeight: 394.51316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC4=C(C=C3)OC(=N4)C)C[NH+]5CCCC5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC4=C(C=C3)OC(=N4)C)C[NH+]5CCCC5)C

InChI

InChI=1S/C21H23N5OS/c1-12-13(2)28-21-19(12)20(24-18(25-21)11-26-8-4-5-9-26)23-15-6-7-17-16(10-15)22-14(3)27-17/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,23,24,25)/p+1