3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propylazanium

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propylazanium Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propylammonium CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propylammonium IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propylazanium Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propylammonium Formula: C10H16N5O2+ MolecularWeight: 238.26634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC[NH3+]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC[NH3+]

InChI

InChI=1S/C10H15N5O2/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)5-3-4-11/h6H,3-5,11H2,1-2H3/p+1