3-(3-azanyl-1H-isoindol-2-ium-2-yl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(3-azanyl-1H-isoindol-2-ium-2-yl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(3-amino-1H-isoindol-2-ium-2-yl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(3-amino-1H-isoindol-2-ium-2-yl)-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(3-amino-1H-isoindol-2-ium-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(3-amino-1H-isoindol-2-ium-2-yl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H15N4OS+ MolecularWeight: 359.4243

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1N3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5)N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1N3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5)N

InChI

InChI=1S/C20H14N4OS/c21-18-15-9-5-4-8-14(15)10-23(18)24-12-22-19-17(20(24)25)16(11-26-19)13-6-2-1-3-7-13/h1-9,11-12,21H,10H2/p+1