8-(2-methoxyethyl)-2,4-bis(oxidanylidene)-3-phenyl-1H-pteridin-8-ium-6-carbaldehyde

Systemtic Name: 8-(2-methoxyethyl)-2,4-bis(oxidanylidene)-3-phenyl-1H-pteridin-8-ium-6-carbaldehyde Openeye Name: 8-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-pteridin-8-ium-6-carbaldehyde CAS Name: 8-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-pteridin-8-ium-6-carboxaldehyde IUPAC Name: 8-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-pteridin-8-ium-6-carbaldehyde Traditional Name: 2,4-diketo-8-(2-methoxyethyl)-3-phenyl-1H-pteridin-8-ium-6-carbaldehyde Formula: C16H15N4O4+ MolecularWeight: 327.3147

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Descriptors Computed from Structure

Canonical SMILES:

COCC[N+]1=C2C(=NC(=C1)C=O)C(=O)N(C(=O)N2)C3=CC=CC=C3

Isomeric SMILES

COCC[N+]1=C2C(=NC(=C1)C=O)C(=O)N(C(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C16H14N4O4/c1-24-8-7-19-9-11(10-21)17-13-14(19)18-16(23)20(15(13)22)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3/p+1