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

Systemtic Name: 4-(6-chloranyl-2-piperazin-1-yl-7-thiomorpholin-4-yl-pteridin-4-yl)-4-oxidanidyl-morpholin-4-ium Openeye Name: 4-(6-chloro-2-piperazin-1-yl-7-thiomorpholino-pteridin-4-yl)-4-oxido-morpholin-4-ium CAS Name: 4-[6-chloro-2-(1-piperazinyl)-7-thiomorpholin-4-yl-4-pteridinyl]-4-oxidomorpholin-4-ium IUPAC Name: 4-(6-chloro-2-piperazin-1-yl-7-thiomorpholin-4-ylpteridin-4-yl)-4-oxidomorpholin-4-ium Traditional Name: 4-(6-chloro-2-piperazino-7-thiomorpholino-pteridin-4-yl)-4-oxido-morpholin-4-ium Formula: C18H25ClN8O2S MolecularWeight: 452.9615

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)[N+]4(CCOCC4)[O-])N=C(C(=N3)N5CCSCC5)Cl

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)[N+]4(CCOCC4)[O-])N=C(C(=N3)N5CCSCC5)Cl

InChI

InChI=1S/C18H25ClN8O2S/c19-14-16(25-5-11-30-12-6-25)22-15-13(21-14)17(27(28)7-9-29-10-8-27)24-18(23-15)26-3-1-20-2-4-26/h20H,1-12H2