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

Systemtic Name: 5-methyl-3-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-methyl-3-[[4-(5-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-methyl-3-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C21H22N5OS+ MolecularWeight: 392.49728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5OS/c1-15-11-17(24-27-15)12-25-7-9-26(10-8-25)20-19-18(16-5-3-2-4-6-16)13-28-21(19)23-14-22-20/h2-6,11,13-14H,7-10,12H2,1H3/p+1