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

Systemtic Name: 4-[8-(phenylmethylsulfanyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine Openeye Name: 4-(8-benzylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl)morpholine CAS Name: 4-[8-(phenylmethylthio)-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]morpholine IUPAC Name: 4-(8-benzylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)morpholine Traditional Name: 4-[8-(benzylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]morpholine Formula: C21H25N7OS MolecularWeight: 423.5345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N7OS/c1-2-4-16(5-3-1)14-30-20-18-17(23-15-24-20)19(27-10-12-29-13-11-27)26-21(25-18)28-8-6-22-7-9-28/h1-5,15,22H,6-14H2