4-[2,6-bis(chloranyl)-7-thiomorpholin-4-yl-pteridin-4-yl]-4-oxidanidyl-morpholin-4-ium

Systemtic Name: 4-[2,6-bis(chloranyl)-7-thiomorpholin-4-yl-pteridin-4-yl]-4-oxidanidyl-morpholin-4-ium Openeye Name: 4-(2,6-dichloro-7-thiomorpholino-pteridin-4-yl)-4-oxido-morpholin-4-ium CAS Name: 4-(2,6-dichloro-7-thiomorpholin-4-yl-4-pteridinyl)-4-oxidomorpholin-4-ium IUPAC Name: 4-(2,6-dichloro-7-thiomorpholin-4-ylpteridin-4-yl)-4-oxidomorpholin-4-ium Traditional Name: 4-(2,6-dichloro-7-thiomorpholino-pteridin-4-yl)-4-oxido-morpholin-4-ium Formula: C14H16Cl2N6O2S MolecularWeight: 403.28684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=NC3=C(C(=NC(=N3)Cl)[N+]4(CCOCC4)[O-])N=C2Cl

Isomeric SMILES

C1CSCCN1C2=NC3=C(C(=NC(=N3)Cl)[N+]4(CCOCC4)[O-])N=C2Cl

InChI

InChI=1S/C14H16Cl2N6O2S/c15-10-12(21-1-7-25-8-2-21)18-11-9(17-10)13(20-14(16)19-11)22(23)3-5-24-6-4-22/h1-8H2