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

Systemtic Name: 4-[8-(furan-2-ylmethylsulfanyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Openeye Name: 4-[8-(2-furylmethylsulfanyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide CAS Name: 4-[8-(2-furanylmethylthio)-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]-1,4-thiazinane 1-oxide IUPAC Name: 4-[8-(furan-2-ylmethylsulfanyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Traditional Name: 4-[8-(2-furfurylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Formula: C19H23N7O2S2 MolecularWeight: 445.56162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SCC5=CC=CO5

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SCC5=CC=CO5

InChI

InChI=1S/C19H23N7O2S2/c27-30-10-7-25(8-11-30)17-15-16(23-19(24-17)26-5-3-20-4-6-26)18(22-13-21-15)29-12-14-2-1-9-28-14/h1-2,9,13,20H,3-8,10-12H2