5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one Openeye Name: 5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one CAS Name: 5-[[5,6-dimethyl-2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]amino]-1,3-dihydrobenzimidazol-2-one IUPAC Name: 5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one Traditional Name: 5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one Formula: C20H23N6O2S+ MolecularWeight: 411.50062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC4=C(C=C3)NC(=O)N4)C[NH+]5CCOCC5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC4=C(C=C3)NC(=O)N4)C[NH+]5CCOCC5)C

InChI

InChI=1S/C20H22N6O2S/c1-11-12(2)29-19-17(11)18(24-16(25-19)10-26-5-7-28-8-6-26)21-13-3-4-14-15(9-13)23-20(27)22-14/h3-4,9H,5-8,10H2,1-2H3,(H,21,24,25)(H2,22,23,27)/p+1