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

Systemtic Name: 4-[8-(3-phenylpropylsulfanyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine Openeye Name: 4-[8-(3-phenylpropylsulfanyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine CAS Name: 4-[8-(3-phenylpropylthio)-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]morpholine IUPAC Name: 4-[8-(3-phenylpropylsulfanyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl]morpholine Traditional Name: 4-[8-(3-phenylpropylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]morpholine Formula: C23H29N7OS MolecularWeight: 451.58766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCOCC4)N=CN=C3SCCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCOCC4)N=CN=C3SCCCC5=CC=CC=C5

InChI

InChI=1S/C23H29N7OS/c1-2-5-18(6-3-1)7-4-16-32-22-20-19(25-17-26-22)21(29-12-14-31-15-13-29)28-23(27-20)30-10-8-24-9-11-30/h1-3,5-6,17,24H,4,7-16H2