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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumylmethyl)-5-phenyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]amine Formula: C24H23N4O3S+ MolecularWeight: 447.52942

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C24H22N4O3S/c1-2-4-16(5-3-1)18-14-32-24-22(18)23(25-17-6-7-19-20(12-17)31-15-30-19)26-21(27-24)13-28-8-10-29-11-9-28/h1-7,12,14H,8-11,13,15H2,(H,25,26,27)/p+1