N-(2-hydroxyethyl)-2-[1-methyl-8-nitro-2,6-bis(oxidanylidene)-3H-purin-7-yl]ethanamide

Systemtic Name: N-(2-hydroxyethyl)-2-[1-methyl-8-nitro-2,6-bis(oxidanylidene)-3H-purin-7-yl]ethanamide Openeye Name: N-(2-hydroxyethyl)-2-(1-methyl-8-nitro-2,6-dioxo-3H-purin-7-yl)acetamide CAS Name: N-(2-hydroxyethyl)-2-(1-methyl-8-nitro-2,6-dioxo-3H-purin-7-yl)acetamide IUPAC Name: N-(2-hydroxyethyl)-2-(1-methyl-8-nitro-2,6-dioxo-3H-purin-7-yl)acetamide Traditional Name: 2-(2,6-diketo-1-methyl-8-nitro-3H-purin-7-yl)-N-(2-hydroxyethyl)acetamide Formula: C10H12N6O6 MolecularWeight: 312.23888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N=C(N2CC(=O)NCCO)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N=C(N2CC(=O)NCCO)[N+](=O)[O-]

InChI

InChI=1S/C10H12N6O6/c1-14-8(19)6-7(13-10(14)20)12-9(16(21)22)15(6)4-5(18)11-2-3-17/h17H,2-4H2,1H3,(H,11,18)(H,13,20)