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

Systemtic Name: 4-[8-(1,3-benzodioxol-5-ylmethylsulfanyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine Openeye Name: 4-[8-(1,3-benzodioxol-5-ylmethylsulfanyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine CAS Name: 4-[8-(1,3-benzodioxol-5-ylmethylthio)-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]morpholine IUPAC Name: 4-[8-(1,3-benzodioxol-5-ylmethylsulfanyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl]morpholine Traditional Name: 4-[2-piperazino-8-(piperonylthio)pyrimido[5,4-d]pyrimidin-4-yl]morpholine Formula: C22H25N7O3S MolecularWeight: 467.544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCOCC4)N=CN=C3SCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCOCC4)N=CN=C3SCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C22H25N7O3S/c1-2-16-17(32-14-31-16)11-15(1)12-33-21-19-18(24-13-25-21)20(28-7-9-30-10-8-28)27-22(26-19)29-5-3-23-4-6-29/h1-2,11,13,23H,3-10,12,14H2