9-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]nonan-2-olate

Systemtic Name: 9-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]nonan-2-olate Openeye Name: 9-(3,7-dimethyl-2,6-dioxo-purin-1-yl)nonan-2-olate CAS Name: 9-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2-nonanolate IUPAC Name: 9-(3,7-dimethyl-2,6-dioxopurin-1-yl)nonan-2-olate Traditional Name: 9-(2,6-diketo-3,7-dimethyl-purin-1-yl)nonan-2-olate Formula: C16H25N4O3- MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

Isomeric SMILES

CC(CCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

InChI

InChI=1S/C16H25N4O3/c1-12(21)9-7-5-4-6-8-10-20-15(22)13-14(17-11-18(13)2)19(3)16(20)23/h11-12H,4-10H2,1-3H3/q-1