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

Systemtic Name: 4-(8-phenylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide Openeye Name: 4-(8-phenylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide CAS Name: 4-[8-(phenylthio)-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]-1,4-thiazinane 1-oxide IUPAC Name: 4-(8-phenylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide Traditional Name: 4-[8-(phenylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Formula: C20H23N7OS2 MolecularWeight: 441.57292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SC5=CC=CC=C5

InChI

InChI=1S/C20H23N7OS2/c28-30-12-10-26(11-13-30)18-16-17(24-20(25-18)27-8-6-21-7-9-27)19(23-14-22-16)29-15-4-2-1-3-5-15/h1-5,14,21H,6-13H2