4-[8-[(4-fluorophenyl)methylsulfanyl]-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide

Systemtic Name: 4-[8-[(4-fluorophenyl)methylsulfanyl]-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Openeye Name: 4-[8-[(4-fluorophenyl)methylsulfanyl]-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide CAS Name: 4-[8-[(4-fluorophenyl)methylthio]-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]-1,4-thiazinane 1-oxide IUPAC Name: 4-[8-[(4-fluorophenyl)methylsulfanyl]-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Traditional Name: 4-[8-[(4-fluorobenzyl)thio]-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Formula: C21H24FN7OS2 MolecularWeight: 473.589963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SCC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SCC5=CC=C(C=C5)F

InChI

InChI=1S/C21H24FN7OS2/c22-16-3-1-15(2-4-16)13-31-20-18-17(24-14-25-20)19(28-9-11-32(30)12-10-28)27-21(26-18)29-7-5-23-6-8-29/h1-4,14,23H,5-13H2