3-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzaldehyde

Systemtic Name: 3-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzaldehyde Openeye Name: 3-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzaldehyde CAS Name: 3-[[5,6-dimethyl-2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]oxy]benzaldehyde IUPAC Name: 3-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzaldehyde Traditional Name: 3-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzaldehyde Formula: C20H22N3O3S+ MolecularWeight: 384.47198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)OC3=CC=CC(=C3)C=O)C[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)OC3=CC=CC(=C3)C=O)C[NH+]4CCOCC4)C

InChI

InChI=1S/C20H21N3O3S/c1-13-14(2)27-20-18(13)19(26-16-5-3-4-15(10-16)12-24)21-17(22-20)11-23-6-8-25-9-7-23/h3-5,10,12H,6-9,11H2,1-2H3/p+1