methyl 4-[8-ethyl-3-methyl-2,4-bis(oxidanylidene)-1H-pteridin-8-ium-6-yl]benzoate

Systemtic Name: methyl 4-[8-ethyl-3-methyl-2,4-bis(oxidanylidene)-1H-pteridin-8-ium-6-yl]benzoate Openeye Name: methyl 4-(8-ethyl-3-methyl-2,4-dioxo-1H-pteridin-8-ium-6-yl)benzoate CAS Name: 4-(8-ethyl-3-methyl-2,4-dioxo-1H-pteridin-8-ium-6-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(8-ethyl-3-methyl-2,4-dioxo-1H-pteridin-8-ium-6-yl)benzoate Traditional Name: 4-(8-ethyl-2,4-diketo-3-methyl-1H-pteridin-8-ium-6-yl)benzoic acid methyl ester Formula: C17H17N4O4+ MolecularWeight: 341.34128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O4/c1-4-21-9-12(10-5-7-11(8-6-10)16(23)25-3)18-13-14(21)19-17(24)20(2)15(13)22/h5-9H,4H2,1-3H3/p+1