3-(cyclohexylmethyl)-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(cyclohexylmethyl)-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(cyclohexylmethyl)-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(cyclohexylmethyl)-2-(4-morpholin-4-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(cyclohexylmethyl)-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(cyclohexylmethyl)-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H28N3O2S2+ MolecularWeight: 430.60662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(=NC3=C(C2=O)C(=CS3)C4=CC=CS4)C[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)CN2C(=NC3=C(C2=O)C(=CS3)C4=CC=CS4)C[NH+]5CCOCC5

InChI

InChI=1S/C22H27N3O2S2/c26-22-20-17(18-7-4-12-28-18)15-29-21(20)23-19(14-24-8-10-27-11-9-24)25(22)13-16-5-2-1-3-6-16/h4,7,12,15-16H,1-3,5-6,8-11,13-14H2/p+1