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

Systemtic Name: 4-[8-(phenylmethylsulfanyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Openeye Name: 4-(8-benzylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide CAS Name: 4-[8-(phenylmethylthio)-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]-1,4-thiazinane 1-oxide IUPAC Name: 4-(8-benzylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide Traditional Name: 4-[8-(benzylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Formula: C21H25N7OS2 MolecularWeight: 455.5995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SCC5=CC=CC=C5

InChI

InChI=1S/C21H25N7OS2/c29-31-12-10-27(11-13-31)19-17-18(25-21(26-19)28-8-6-22-7-9-28)20(24-15-23-17)30-14-16-4-2-1-3-5-16/h1-5,15,22H,6-14H2