4-[8-[(3-nitrophenyl)methylsulfanyl]-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine

Systemtic Name: 4-[8-[(3-nitrophenyl)methylsulfanyl]-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine Openeye Name: 4-[8-[(3-nitrophenyl)methylsulfanyl]-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine CAS Name: 4-[8-[(3-nitrophenyl)methylthio]-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]morpholine IUPAC Name: 4-[8-[(3-nitrophenyl)methylsulfanyl]-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl]morpholine Traditional Name: 4-[8-[(3-nitrobenzyl)thio]-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]morpholine Formula: C21H24N8O3S MolecularWeight: 468.53206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCOCC4)N=CN=C3SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCOCC4)N=CN=C3SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H24N8O3S/c30-29(31)16-3-1-2-15(12-16)13-33-20-18-17(23-14-24-20)19(27-8-10-32-11-9-27)26-21(25-18)28-6-4-22-5-7-28/h1-3,12,14,22H,4-11,13H2