1-[1-(1-oxidanidylpentadecyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-7-yl]pentadecan-1-olate

Systemtic Name: 1-[1-(1-oxidanidylpentadecyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-7-yl]pentadecan-1-olate Openeye Name: 1-[3-benzyl-1-(1-oxidopentadecyl)-2,6-dioxo-purin-7-yl]pentadecan-1-olate CAS Name: 1-[1-(1-oxidopentadecyl)-2,6-dioxo-3-(phenylmethyl)-7-purinyl]-1-pentadecanolate IUPAC Name: 1-[3-benzyl-1-(1-oxidopentadecyl)-2,6-dioxopurin-7-yl]pentadecan-1-olate Traditional Name: 1-[3-benzyl-2,6-diketo-1-(1-oxidopentadecyl)purin-7-yl]pentadecan-1-olate Formula: C42H68N4O4-2 MolecularWeight: 693.01372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)C(CCCCCCCCCCCCCC)[O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)C(CCCCCCCCCCCCCC)[O-])[O-]

InChI

InChI=1S/C42H68N4O4/c1-3-5-7-9-11-13-15-17-19-21-23-28-32-37(47)45-35-43-40-39(45)41(49)46(42(50)44(40)34-36-30-26-25-27-31-36)38(48)33-29-24-22-20-18-16-14-12-10-8-6-4-2/h25-27,30-31,35,37-38H,3-24,28-29,32-34H2,1-2H3/q-2