2-[4-(4-morpholin-4-yl-8-phenylsulfanyl-pyrimido[5,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanol

Systemtic Name: 2-[4-(4-morpholin-4-yl-8-phenylsulfanyl-pyrimido[5,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanol Openeye Name: 2-[4-(4-morpholino-8-phenylsulfanyl-pyrimido[5,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanol CAS Name: 2-[4-[4-(4-morpholinyl)-8-(phenylthio)-2-pyrimido[5,4-d]pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-(4-morpholin-4-yl-8-phenylsulfanylpyrimido[5,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanol Traditional Name: 2-[4-[4-morpholino-8-(phenylthio)pyrimido[5,4-d]pyrimidin-2-yl]piperazino]ethanol Formula: C22H27N7O2S MolecularWeight: 453.56048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=NC3=C(C(=N2)N4CCOCC4)N=CN=C3SC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCO)C2=NC3=C(C(=N2)N4CCOCC4)N=CN=C3SC5=CC=CC=C5

InChI

InChI=1S/C22H27N7O2S/c30-13-10-27-6-8-29(9-7-27)22-25-19-18(20(26-22)28-11-14-31-15-12-28)23-16-24-21(19)32-17-4-2-1-3-5-17/h1-5,16,30H,6-15H2