2-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-5-phenyl-4-thieno[2,3-d]pyrimidinyl]thio]-1H-pyrimidin-6-one IUPAC Name: 2-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]thio]-1H-pyrimidin-6-one Formula: C21H20N5O2S2+ MolecularWeight: 438.5458

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=N2)SC5=NC=CC(=O)N5

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=N2)SC5=NC=CC(=O)N5

InChI

InChI=1S/C21H19N5O2S2/c27-17-6-7-22-21(25-17)30-20-18-15(14-4-2-1-3-5-14)13-29-19(18)23-16(24-20)12-26-8-10-28-11-9-26/h1-7,13H,8-12H2,(H,22,25,27)/p+1