2-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-pentan-3-yl-1-pyridin-1-iumyl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H24N3OS+ MolecularWeight: 390.52116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C23H23N3OS/c1-3-16(4-2)17-10-12-26(13-11-17)14-20-24-22(27)21-19(15-28-23(21)25-20)18-8-6-5-7-9-18/h5-13,15-16H,3-4,14H2,1-2H3/p+1