4-[4-(1-oxidanylidene-1,4-thiazinan-4-yl)-8-phenethylsulfanyl-pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde

Systemtic Name: 4-[4-(1-oxidanylidene-1,4-thiazinan-4-yl)-8-phenethylsulfanyl-pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde Openeye Name: 4-[4-(1-oxo-1,4-thiazinan-4-yl)-8-phenethylsulfanyl-pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde CAS Name: 4-[4-(1-oxo-1,4-thiazinan-4-yl)-8-(phenethylthio)-2-pyrimido[5,4-d]pyrimidinyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-(1-oxo-1,4-thiazinan-4-yl)-8-phenethylsulfanylpyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde Traditional Name: 4-[4-(1-keto-1,4-thiazinan-4-yl)-8-(phenethylthio)pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde Formula: C23H27N7O2S2 MolecularWeight: 497.63618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C=O)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SCCC5=CC=CC=C5

InChI

InChI=1S/C23H27N7O2S2/c31-17-28-7-9-30(10-8-28)23-26-20-19(21(27-23)29-11-14-34(32)15-12-29)24-16-25-22(20)33-13-6-18-4-2-1-3-5-18/h1-5,16-17H,6-15H2