2-[[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]methylcarbamoyl]benzoic acid

Systemtic Name: 2-[[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]methylcarbamoyl]benzoic acid Openeye Name: 2-[(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)methylcarbamoyl]benzoic acid CAS Name: 2-[[(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)methylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)methylcarbamoyl]benzoic acid Traditional Name: 2-[(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)methylcarbamoyl]benzoic acid Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)CNC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)CNC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H23N5O5/c1-3-9-24-16-15(18(27)25(10-4-2)20(24)30)22-14(23-16)11-21-17(26)12-7-5-6-8-13(12)19(28)29/h5-8H,3-4,9-11H2,1-2H3,(H,21,26)(H,22,23)(H,28,29)