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

Systemtic Name: 15-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentadecan-5-olate Openeye Name: 15-(3,7-dimethyl-2,6-dioxo-purin-1-yl)pentadecan-5-olate CAS Name: 15-(3,7-dimethyl-2,6-dioxo-1-purinyl)-5-pentadecanolate IUPAC Name: 15-(3,7-dimethyl-2,6-dioxopurin-1-yl)pentadecan-5-olate Traditional Name: 15-(2,6-diketo-3,7-dimethyl-purin-1-yl)pentadecan-5-olate Formula: C22H37N4O3- MolecularWeight: 405.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

Isomeric SMILES

CCCCC(CCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

InChI

InChI=1S/C22H37N4O3/c1-4-5-14-18(27)15-12-10-8-6-7-9-11-13-16-26-21(28)19-20(23-17-24(19)2)25(3)22(26)29/h17-18H,4-16H2,1-3H3/q-1