1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N-(phenylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)pyridin-1-ium-3-carboxamide CAS Name: 1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)pyridin-1-ium-3-carboxamide Traditional Name: N-benzyl-1-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)pyridin-1-ium-3-carboxamide Formula: C20H19N6O3+ MolecularWeight: 391.40326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+]3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+]3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C20H18N6O3/c1-24-16-15(18(28)25(2)20(24)29)22-19(23-16)26-10-6-9-14(12-26)17(27)21-11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H-,21,22,23,27,28)/p+1