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

Systemtic Name: 4-(8-phenethylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide Openeye Name: 4-(8-phenethylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide CAS Name: 4-[8-(phenethylthio)-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]-1,4-thiazinane 1-oxide IUPAC Name: 4-(8-phenethylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide Traditional Name: 4-[8-(phenethylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Formula: C22H27N7OS2 MolecularWeight: 469.62608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SCCC5=CC=CC=C5

InChI

InChI=1S/C22H27N7OS2/c30-32-14-11-28(12-15-32)20-18-19(26-22(27-20)29-9-7-23-8-10-29)21(25-16-24-18)31-13-6-17-4-2-1-3-5-17/h1-5,16,23H,6-15H2