2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]amino]ethylazanium

Systemtic Name: 2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]amino]ethylazanium Openeye Name: 2-[(7-benzyl-3-methyl-2,6-dioxo-purin-8-yl)amino]ethylammonium CAS Name: 2-[[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]amino]ethylammonium IUPAC Name: 2-[(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)amino]ethylazanium Traditional Name: 2-[(7-benzyl-2,6-diketo-3-methyl-purin-8-yl)amino]ethylammonium Formula: C15H19N6O2+ MolecularWeight: 315.35036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH3+])CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH3+])CC3=CC=CC=C3

InChI

InChI=1S/C15H18N6O2/c1-20-12-11(13(22)19-15(20)23)21(14(18-12)17-8-7-16)9-10-5-3-2-4-6-10/h2-6H,7-9,16H2,1H3,(H,17,18)(H,19,22,23)/p+1