6-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-phenyl-2-(1-pyrrolidin-1-iumylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H18N3OS+ MolecularWeight: 312.40932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C17H17N3OS/c21-16-13-10-14(12-6-2-1-3-7-12)22-17(13)19-15(18-16)11-20-8-4-5-9-20/h1-3,6-7,10H,4-5,8-9,11H2,(H,18,19,21)/p+1