5-methyl-3-[[4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole

Systemtic Name: 5-methyl-3-[[4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-methyl-3-[[4-(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-methyl-3-[[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C22H24N5OS+ MolecularWeight: 406.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=C4C(=CSC4=NC(=N3)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=C4C(=CSC4=NC(=N3)C)C5=CC=CC=C5

InChI

InChI=1S/C22H23N5OS/c1-15-12-18(25-28-15)13-26-8-10-27(11-9-26)21-20-19(17-6-4-3-5-7-17)14-29-22(20)24-16(2)23-21/h3-7,12,14H,8-11,13H2,1-2H3/p+1