4-[4-morpholin-4-yl-8-(phenylmethylsulfanyl)pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde

Systemtic Name: 4-[4-morpholin-4-yl-8-(phenylmethylsulfanyl)pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde Openeye Name: 4-(8-benzylsulfanyl-4-morpholino-pyrimido[5,4-d]pyrimidin-2-yl)piperazine-1-carbaldehyde CAS Name: 4-[4-(4-morpholinyl)-8-(phenylmethylthio)-2-pyrimido[5,4-d]pyrimidinyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-(8-benzylsulfanyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-yl)piperazine-1-carbaldehyde Traditional Name: 4-[8-(benzylthio)-4-morpholino-pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde Formula: C22H25N7O2S MolecularWeight: 451.5446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=NC3=C(C(=N2)N4CCOCC4)N=CN=C3SCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C=O)C2=NC3=C(C(=N2)N4CCOCC4)N=CN=C3SCC5=CC=CC=C5

InChI

InChI=1S/C22H25N7O2S/c30-16-27-6-8-29(9-7-27)22-25-19-18(20(26-22)28-10-12-31-13-11-28)23-15-24-21(19)32-14-17-4-2-1-3-5-17/h1-5,15-16H,6-14H2