15-[3-methyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)purin-7-yl]pentadecan-5-olate

Systemtic Name: 15-[3-methyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)purin-7-yl]pentadecan-5-olate Openeye Name: 15-(1-benzyl-3-methyl-2,6-dioxo-purin-7-yl)pentadecan-5-olate CAS Name: 15-[3-methyl-2,6-dioxo-1-(phenylmethyl)-7-purinyl]-5-pentadecanolate IUPAC Name: 15-(1-benzyl-3-methyl-2,6-dioxopurin-7-yl)pentadecan-5-olate Traditional Name: 15-(1-benzyl-2,6-diketo-3-methyl-purin-7-yl)pentadecan-5-olate Formula: C28H41N4O3- MolecularWeight: 481.65014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3)[O-]

Isomeric SMILES

CCCCC(CCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C28H41N4O3/c1-3-4-18-24(33)19-14-9-7-5-6-8-10-15-20-31-22-29-26-25(31)27(34)32(28(35)30(26)2)21-23-16-12-11-13-17-23/h11-13,16-17,22,24H,3-10,14-15,18-21H2,1-2H3/q-1