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

Systemtic Name: 4-[8-(3-phenylpropylsulfanyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Openeye Name: 4-[8-(3-phenylpropylsulfanyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide CAS Name: 4-[8-(3-phenylpropylthio)-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]-1,4-thiazinane 1-oxide IUPAC Name: 4-[8-(3-phenylpropylsulfanyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Traditional Name: 4-[8-(3-phenylpropylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Formula: C23H29N7OS2 MolecularWeight: 483.65266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SCCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SCCCC5=CC=CC=C5

InChI

InChI=1S/C23H29N7OS2/c31-33-15-12-29(13-16-33)21-19-20(27-23(28-21)30-10-8-24-9-11-30)22(26-17-25-19)32-14-4-7-18-5-2-1-3-6-18/h1-3,5-6,17,24H,4,7-16H2