4-[6-chloranyl-4-(4-oxidanidylthiomorpholin-4-ium-4-yl)-2-piperazin-1-yl-pteridin-7-yl]-4-oxidanidyl-thiomorpholin-4-ium

Systemtic Name: 4-[6-chloranyl-4-(4-oxidanidylthiomorpholin-4-ium-4-yl)-2-piperazin-1-yl-pteridin-7-yl]-4-oxidanidyl-thiomorpholin-4-ium Openeye Name: 4-[6-chloro-4-(4-oxidothiomorpholin-4-ium-4-yl)-2-piperazin-1-yl-pteridin-7-yl]-4-oxido-thiomorpholin-4-ium CAS Name: 4-[6-chloro-4-(4-oxido-4-thiomorpholin-4-iumyl)-2-(1-piperazinyl)-7-pteridinyl]-4-oxidothiomorpholin-4-ium IUPAC Name: 4-[6-chloro-4-(4-oxidothiomorpholin-4-ium-4-yl)-2-piperazin-1-ylpteridin-7-yl]-4-oxidothiomorpholin-4-ium Traditional Name: 4-[6-chloro-4-(4-oxidothiomorpholin-4-ium-4-yl)-2-piperazino-pteridin-7-yl]-4-oxido-thiomorpholin-4-ium Formula: C18H25ClN8O2S2 MolecularWeight: 485.0265

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)[N+]4(CCSCC4)[O-])N=C(C(=N3)[N+]5(CCSCC5)[O-])Cl

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)[N+]4(CCSCC4)[O-])N=C(C(=N3)[N+]5(CCSCC5)[O-])Cl

InChI

InChI=1S/C18H25ClN8O2S2/c19-14-17(27(29)7-11-31-12-8-27)22-15-13(21-14)16(26(28)5-9-30-10-6-26)24-18(23-15)25-3-1-20-2-4-25/h20H,1-12H2