[(E)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-1-piperidin-1-yl-ethenyl]azanium

Systemtic Name: [(E)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-1-piperidin-1-yl-ethenyl]azanium Openeye Name: [(E)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-1-(1-piperidyl)vinyl]ammonium CAS Name: [(E)-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-(1-piperidinyl)ethenyl]ammonium IUPAC Name: [(E)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-1-piperidin-1-ylethenyl]azanium Traditional Name: [(E)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-1-piperidino-vinyl]ammonium Formula: C14H21N6O2+ MolecularWeight: 305.35554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C=C([NH3+])N3CCCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)/C=C(\[NH3+])/N3CCCCC3

InChI

InChI=1S/C14H20N6O2/c1-17-12-11(13(21)18(2)14(17)22)20(9-16-12)8-10(15)19-6-4-3-5-7-19/h8-9H,3-7,15H2,1-2H3/p+1/b10-8+