13-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]tridecan-2-olate

Systemtic Name: 13-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]tridecan-2-olate Openeye Name: 13-(3,7-dimethyl-2,6-dioxo-purin-1-yl)tridecan-2-olate CAS Name: 13-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2-tridecanolate IUPAC Name: 13-(3,7-dimethyl-2,6-dioxopurin-1-yl)tridecan-2-olate Traditional Name: 13-(2,6-diketo-3,7-dimethyl-purin-1-yl)tridecan-2-olate Formula: C20H33N4O3- MolecularWeight: 377.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

Isomeric SMILES

CC(CCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

InChI

InChI=1S/C20H33N4O3/c1-16(25)13-11-9-7-5-4-6-8-10-12-14-24-19(26)17-18(21-15-22(17)2)23(3)20(24)27/h15-16H,4-14H2,1-3H3/q-1