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

Systemtic Name: 3-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methoxy-benzaldehyde Openeye Name: 3-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methoxy-benzaldehyde CAS Name: 3-[[5,6-dimethyl-2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]oxy]-4-methoxybenzaldehyde IUPAC Name: 3-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methoxybenzaldehyde Traditional Name: 3-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methoxy-benzaldehyde Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-13-14(2)29-21-19(13)20(22-18(23-21)11-24-6-8-27-9-7-24)28-17-10-15(12-25)4-5-16(17)26-3/h4-5,10,12H,6-9,11H2,1-3H3/p+1