7-ethyl-3-methyl-8-(prop-2-enylamino)-9H-purin-7-ium-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-(prop-2-enylamino)-9H-purin-7-ium-2,6-dione Openeye Name: 8-(allylamino)-7-ethyl-3-methyl-9H-purin-7-ium-2,6-dione CAS Name: 7-ethyl-3-methyl-8-(prop-2-enylamino)-9H-purin-7-ium-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-(prop-2-enylamino)-9H-purin-7-ium-2,6-dione Traditional Name: 8-(allylamino)-7-ethyl-3-methyl-9H-purin-7-ium-2,6-quinone Formula: C11H16N5O2+ MolecularWeight: 250.27704

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC2=C1C(=O)NC(=O)N2C)NCC=C

Isomeric SMILES

CC[N+]1=C(NC2=C1C(=O)NC(=O)N2C)NCC=C

InChI

InChI=1S/C11H15N5O2/c1-4-6-12-10-13-8-7(16(10)5-2)9(17)14-11(18)15(8)3/h4H,1,5-6H2,2-3H3,(H2,12,13,14,17,18)/p+1