1-[1-(1-oxidanidyldecyl)-3-(2-oxidanidylethyl)-2,6-bis(oxidanylidene)purin-7-yl]decan-1-olate

Systemtic Name: 1-[1-(1-oxidanidyldecyl)-3-(2-oxidanidylethyl)-2,6-bis(oxidanylidene)purin-7-yl]decan-1-olate Openeye Name: 1-[1-(1-oxidodecyl)-3-(2-oxidoethyl)-2,6-dioxo-purin-7-yl]decan-1-olate CAS Name: 1-[1-(1-oxidodecyl)-3-(2-oxidoethyl)-2,6-dioxo-7-purinyl]-1-decanolate IUPAC Name: 1-[1-(1-oxidodecyl)-3-(2-oxidoethyl)-2,6-dioxopurin-7-yl]decan-1-olate Traditional Name: 1-[2,6-diketo-1-(1-oxidodecyl)-3-(2-oxidoethyl)purin-7-yl]decan-1-olate Formula: C27H45N4O5-3 MolecularWeight: 505.67

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2CC[O-])C(CCCCCCCCC)[O-])[O-]

Isomeric SMILES

CCCCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2CC[O-])C(CCCCCCCCC)[O-])[O-]

InChI

InChI=1S/C27H45N4O5/c1-3-5-7-9-11-13-15-17-22(33)30-21-28-25-24(30)26(35)31(27(36)29(25)19-20-32)23(34)18-16-14-12-10-8-6-4-2/h21-23H,3-20H2,1-2H3/q-3