3-[1-(diethoxymethoxy)butan-2-yl]-8-oxidanidyl-6-phenyl-pteridin-8-ium-4-one

Systemtic Name: 3-[1-(diethoxymethoxy)butan-2-yl]-8-oxidanidyl-6-phenyl-pteridin-8-ium-4-one Openeye Name: 3-[1-(diethoxymethoxymethyl)propyl]-8-oxido-6-phenyl-pteridin-8-ium-4-one CAS Name: 3-[1-(diethoxymethoxy)butan-2-yl]-8-oxido-6-phenyl-4-pteridin-8-iumone IUPAC Name: 3-[1-(diethoxymethoxy)butan-2-yl]-8-oxido-6-phenylpteridin-8-ium-4-one Traditional Name: 3-[1-(diethoxymethoxymethyl)propyl]-8-oxido-6-phenyl-pteridin-8-ium-4-one Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(OCC)OCC)N1C=NC2=[N+](C=C(N=C2C1=O)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCC(COC(OCC)OCC)N1C=NC2=[N+](C=C(N=C2C1=O)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H26N4O5/c1-4-16(13-30-21(28-5-2)29-6-3)24-14-22-19-18(20(24)26)23-17(12-25(19)27)15-10-8-7-9-11-15/h7-12,14,16,21H,4-6,13H2,1-3H3