4-[1-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-1-ium-7-yl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[1-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-1-ium-7-yl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-(1-ethyl-1,3-dimethyl-2,6-dioxo-purin-1-ium-7-yl)-1,4-diazepane-1-carbaldehyde CAS Name: 4-(1-ethyl-1,3-dimethyl-2,6-dioxo-7-purin-1-iumyl)-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-(1-ethyl-1,3-dimethyl-2,6-dioxopurin-1-ium-7-yl)-1,4-diazepane-1-carbaldehyde Traditional Name: 4-(1-ethyl-2,6-diketo-1,3-dimethyl-purin-1-ium-7-yl)-1,4-diazepane-1-carbaldehyde Formula: C15H23N6O3+ MolecularWeight: 335.38152

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=O)C2=C(N=CN2N3CCCN(CC3)C=O)N(C1=O)C)C

Isomeric SMILES

CC[N+]1(C(=O)C2=C(N=CN2N3CCCN(CC3)C=O)N(C1=O)C)C

InChI

InChI=1S/C15H23N6O3/c1-4-21(3)14(23)12-13(17(2)15(21)24)16-10-20(12)19-7-5-6-18(11-22)8-9-19/h10-11H,4-9H2,1-3H3/q+1