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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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