4-oxidanidyl-4-(2-piperazin-1-yl-6-propylsulfanyl-7-thiomorpholin-4-yl-pteridin-4-yl)morpholin-4-ium

Systemtic Name: 4-oxidanidyl-4-(2-piperazin-1-yl-6-propylsulfanyl-7-thiomorpholin-4-yl-pteridin-4-yl)morpholin-4-ium Openeye Name: 4-oxido-4-(2-piperazin-1-yl-6-propylsulfanyl-7-thiomorpholino-pteridin-4-yl)morpholin-4-ium CAS Name: 4-oxido-4-[2-(1-piperazinyl)-6-(propylthio)-7-thiomorpholin-4-yl-4-pteridinyl]morpholin-4-ium IUPAC Name: 4-oxido-4-(2-piperazin-1-yl-6-propylsulfanyl-7-thiomorpholin-4-ylpteridin-4-yl)morpholin-4-ium Traditional Name: 4-oxido-4-[2-piperazino-6-(propylthio)-7-thiomorpholino-pteridin-4-yl]morpholin-4-ium Formula: C21H32N8O2S2 MolecularWeight: 492.66118

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N=C1N3CCSCC3)N=C(N=C2[N+]4(CCOCC4)[O-])N5CCNCC5

Isomeric SMILES

CCCSC1=NC2=C(N=C1N3CCSCC3)N=C(N=C2[N+]4(CCOCC4)[O-])N5CCNCC5

InChI

InChI=1S/C21H32N8O2S2/c1-2-13-33-20-18(27-7-14-32-15-8-27)24-17-16(23-20)19(29(30)9-11-31-12-10-29)26-21(25-17)28-5-3-22-4-6-28/h22H,2-15H2,1H3