4-[[5-phenyl-4-(4-pyrazin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[5-phenyl-4-(4-pyrazin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[5-phenyl-4-(4-pyrazin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[5-phenyl-4-[4-(2-pyrazinyl)-1-piperazinyl]-2-thieno[2,3-d]pyrimidinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[5-phenyl-4-(4-pyrazin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[5-phenyl-4-(4-pyrazin-2-ylpiperazino)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Formula: C25H28N7OS+ MolecularWeight: 474.60112

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)N5CCN(CC5)C6=NC=CN=C6

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)N5CCN(CC5)C6=NC=CN=C6

InChI

InChI=1S/C25H27N7OS/c1-2-4-19(5-3-1)20-18-34-25-23(20)24(28-21(29-25)17-30-12-14-33-15-13-30)32-10-8-31(9-11-32)22-16-26-6-7-27-22/h1-7,16,18H,8-15,17H2/p+1