3-phenyl-7-[(thiophen-2-ylmethylamino)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 3-phenyl-7-[(thiophen-2-ylmethylamino)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 3-phenyl-7-[(2-thienylmethylamino)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 3-phenyl-7-[(thiophen-2-ylmethylamino)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 3-phenyl-7-[(thiophen-2-ylmethylamino)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 3-phenyl-7-[(2-thenylamino)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C18H16N3OS2+ MolecularWeight: 354.46914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=[N+]2C(=O)C=C(N3)CNCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=[N+]2C(=O)C=C(N3)CNCC4=CC=CS4

InChI

InChI=1S/C18H15N3OS2/c22-17-9-14(10-19-11-15-7-4-8-23-15)20-18-21(17)16(12-24-18)13-5-2-1-3-6-13/h1-9,12,19H,10-11H2/p+1