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

Systemtic Name: 4-(8-phenethylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine Openeye Name: 4-(8-phenethylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine CAS Name: 4-[8-(phenethylthio)-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]thiomorpholine IUPAC Name: 4-(8-phenethylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine Traditional Name: 4-[8-(phenethylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]thiomorpholine Formula: C22H27N7S2 MolecularWeight: 453.62668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCSCC4)N=CN=C3SCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCSCC4)N=CN=C3SCCC5=CC=CC=C5

InChI

InChI=1S/C22H27N7S2/c1-2-4-17(5-3-1)6-13-31-21-19-18(24-16-25-21)20(28-11-14-30-15-12-28)27-22(26-19)29-9-7-23-8-10-29/h1-5,16,23H,6-15H2