1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-3-ium-8-yl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide

Systemtic Name: 1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-3-ium-8-yl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-(1,3-dimethyl-2,6-dioxo-purin-3-ium-8-yl)pyridin-1-ium-4-carboxamide CAS Name: 1-(1,3-dimethyl-2,6-dioxo-8-purin-3-iumyl)-N-(phenylmethyl)-4-pyridin-1-iumcarboxamide IUPAC Name: N-benzyl-1-(1,3-dimethyl-2,6-dioxopurin-3-ium-8-yl)pyridin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-(2,6-diketo-1,3-dimethyl-purin-3-ium-8-yl)pyridin-1-ium-4-carboxamide Formula: C20H18N6O3+2 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)[N+]3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)[N+]3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C20H17N6O3/c1-24-16-15(18(28)25(2)20(24)29)22-19(23-16)26-10-8-14(9-11-26)17(27)21-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3/q+1/p+1