2-[1,3-dimethyl-2,6-bis(oxidanylidene)-4,5-dihydropurin-7-yl]-N-(4-nitrophenyl)butanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-4,5-dihydropurin-7-yl]-N-(4-nitrophenyl)butanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(4-nitrophenyl)butanamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(4-nitrophenyl)butanamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(4-nitrophenyl)butanamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-4,5-dihydropurin-7-yl)-N-(4-nitrophenyl)butyramide Formula: C17H20N6O5 MolecularWeight: 388.3779

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N2C=NC3C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N2C=NC3C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H20N6O5/c1-4-12(15(24)19-10-5-7-11(8-6-10)23(27)28)22-9-18-14-13(22)16(25)21(3)17(26)20(14)2/h5-9,12-14H,4H2,1-3H3,(H,19,24)