N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-(4-morpholin-4-iumylmethyl)-5-phenyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [2-(methylthio)-1,3-benzothiazol-6-yl]-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]amine Formula: C25H24N5OS3+ MolecularWeight: 506.68596

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC3=C4C(=CSC4=NC(=N3)C[NH+]5CCOCC5)C6=CC=CC=C6

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC3=C4C(=CSC4=NC(=N3)C[NH+]5CCOCC5)C6=CC=CC=C6

InChI

InChI=1S/C25H23N5OS3/c1-32-25-27-19-8-7-17(13-20(19)34-25)26-23-22-18(16-5-3-2-4-6-16)15-33-24(22)29-21(28-23)14-30-9-11-31-12-10-30/h2-8,13,15H,9-12,14H2,1H3,(H,26,28,29)/p+1