5-methyl-3-[[4-(5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole

Systemtic Name: 5-methyl-3-[[4-(5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[4-(5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-methyl-3-[[4-(5-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-methyl-3-[[4-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[4-(5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C22H24N5OS+ MolecularWeight: 406.52386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C5=CC=CC=C5)C

InChI

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