2-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-oxopiperazin-1-ium-1-yl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-oxo-1-piperazin-1-iumyl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-oxopiperazin-1-ium-1-yl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3-ketopiperazin-1-ium-1-yl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H17N4O2S+ MolecularWeight: 341.40748

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C17H16N4O2S/c22-15-10-21(7-6-18-15)9-14-19-16(23)12-8-13(24-17(12)20-14)11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,18,22)(H,19,20,23)/p+1